Fenofibric acid (CED0008475)

Record Information

Version

1.0

Creation Date

2016-05-25 03:25:46 UTC

Update Date

2026-08-19 18:48:16 UTC

Accession Number

CHEM021338

Identification

Common Name

Fenofibric acid

Class

Small Molecule

Description

Fenofibric acid is an organic compound with the formula C17H15ClO4 and an average molecular weight of 318.75 g/mol. Fenofibric acid belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. The compound is found in or released from two recorded sources: drinking water (Drinking water & water supply) and lipid modifying agents (Healthcare, pharmaceuticals & veterinary products). The recorded route of exposure for this substance is oral. In terms of biological activity, fenofibric acid interacts with six recorded protein targets. It acts as an agonist, inhibitor, partial agonist, or has an unknown role regarding Peroxisome proliferator-activated receptor alpha (PPARA), Peroxisome proliferator-activated receptor gamma (PPARG), Peroxisome proliferator-activated receptor delta (PPARD), and Matrix metalloproteinase-25 (MMP25), as well as two other proteins.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Procetofenic acid	ChEBI
Procetofenate	Generator
Fenofibrate	Generator

Chemical Formula

C₁₇H₁₅ClO₄

Average Molecular Mass

318.750 g/mol

Monoisotopic Mass

318.066 g/mol

CAS Registry Number

42017-89-0

IUPAC Name

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid

Traditional Name

fenofibric acid

SMILES

CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O

InChI Identifier

InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)

InChI Key

MQOBSOSZFYZQOK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzophenones

Direct Parent

Benzophenones

Alternative Parents

Substituents

Benzophenone
Aryl-phenylketone
Diphenylmethane
Phenoxyacetate
Phenoxy compound
Aryl ketone
Phenol ether
Benzoyl
Alkyl aryl ether
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Ketone
Ether
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organohalogen compound
Carbonyl group
Organochloride
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:83469 )
aromatic ketone (CHEBI:83469 )
chlorobenzophenone (CHEBI:83469 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.0051 g/L	ALOGPS
logP	3.97	ALOGPS
logP	4.36	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	3.1	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	83.19 m³·mol⁻¹	ChemAxon
Polarizability	32.42 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-007x-4890000000-438516575f8400af1f37	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-3649af6f9c4b41b005f1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-32a876d779b641e3efe5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-7f472b5dbad132612d0f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-7d336fa21123052b7639	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-c719e39f8727bb7b4a81	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-d679eb2c4a1fd6add4da	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-315f65e0bc37c818bb8a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-32a876d779b641e3efe5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-32a876d779b641e3efe5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-025493f1f9167267c269	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-6a4de28c55a429fcb2dc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-3649af6f9c4b41b005f1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01c0-0049000000-4fde30c6366aaf26d77b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-ef34ffdf5196e70b8a31	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0019-0980000000-3ad6ba9802e2a2b7b641	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-b963e54c4d24ec26b369	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-048d283cdc91de474403	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-37c84c25e65d613b9ce6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0039000000-9bde2b9a05392bcf9a07	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-4ca50e189c23da26c95f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001r-0890000000-0deb0153634d8254fbf7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-a9899a3039e6e594019f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-e09a6ff2195f97b9e36a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-d3a8a6509bfc59986717	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0039000000-9877282b22141d22ef61	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-49eb13bf6ac8b940026a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001r-0980000000-b3128b9adac2ce9ef4a0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-6957ae9ec970a7a430e7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-e6ede86247f2a517f635	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-8018d16193aeeecc196c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-ed51dbe03c7dbdb65df7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-c719e39f8727bb7b4a81	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-a1cf18818970fe59424b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-d679eb2c4a1fd6add4da	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-7d336fa21123052b7639	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-7f472b5dbad132612d0f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0019-0980000000-3ad6ba9802e2a2b7b641	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-b963e54c4d24ec26b369	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-ef34ffdf5196e70b8a31	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01c0-0049000000-4fde30c6366aaf26d77b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-32a876d779b641e3efe5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001r-0890000000-e8468a6b9c6e34fdbab8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001r-0980000000-b3128b9adac2ce9ef4a0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-49eb13bf6ac8b940026a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-6a4de28c55a429fcb2dc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-52c18c24739fe7fdebd6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-30d0e205f1d24decd067	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-e6ede86247f2a517f635	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0039000000-6b0a4443d4452f3cab46	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-048d283cdc91de474403	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-d3a8a6509bfc59986717	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-4ca50e189c23da26c95f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-645471275bf4e6fb39f3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-8b5742356730d8f844b7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-3649af6f9c4b41b005f1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0039000000-5ae35bba9a38392d8f6b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-fc8d596a0094685e5545	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-aab6423b33e79e78634b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-025493f1f9167267c269	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0090000000-315f65e0bc37c818bb8a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-1039000000-94a67f7549034ef4cd9e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-1091000000-add0415e8f05ea657374	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ec-4960000000-575419a123db8818fa35	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0019000000-82c23835ed47e84fbb8a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00lr-0094000000-79bf92b5ff4262c420cd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02ai-0960000000-17d35c37f94648f2b6de	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01c0-0098000000-d43dd1328c3f5addf6cd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-008i-0590000000-60a1973be63d3a01660f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-6974732422998990c880	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-5fca688c7437a44c6801	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-1090000000-7206ab0118e4c7113d5f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0zgi-1090000000-5393747715db448afcae	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1061.0	Log mg/kg	[600:1900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
298	Lipid modifying agents	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

2 pathways

Fenofibrate Metabolism Pathway

Fenofibric acid Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	3.34752
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	3.03612
Click to view 3D structure	Fatty acid-binding protein, liver	P02692	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P23204	Mus musculus	Predicted (SEA)	1.40129
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	11.4438
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P37230	Rattus norvegicus	Predicted (SEA)	1.79053
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	92.6406
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	481.731
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	388.156
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	357.951
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	293.803
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	473.868
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	138.805
Click to view 3D structure	Superoxide dismutase	Q4DCQ3	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	20.5522
Click to view 3D structure	Fatty acid-binding protein, intestinal	P12104	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	135.613
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	47.0209
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	720.027
Click to view 3D structure	Misshapen-like kinase 1	Q8N4C8	Humans	Predicted (SEA)	548.37
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	42.4278
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	594.379
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	98.7128
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	44.7633
Click to view 3D structure	Aldo-keto reductase family 1 member C4	P17516	Humans	Predicted (SEA)	16.4262
Click to view 3D structure	Aldo-keto reductase family 1 member C1	Q04828	Humans	Predicted (SEA)	23.4326

Concentrations

Status	Value	Unit	Sample Location	Reference
Detected and Quantified	190	ng/L	Bioggio,Lugano	24417318
Detected and Quantified	330	ng/L	Bussigny-prés-Lausanne	24417318
Detected and Quantified	34	ng/L	Hallau,Klettgau	24417318
Detected and Quantified	38	ng/L	Thal,Altenrhein	24417318
Detected and Quantified	77	ng/L	Uetendorf,Thun	24417318
Detected and Quantified	240	ng/L	Vernier,Aïre	24417318
Detected and Quantified	31	ng/L	Winterthur	24417318
Detected and Quantified	98	ng/L	Werdhölzli,Zürich	24417318
Detected and Quantified	9.1	ng/L	Schönau,Zug	24417318
Detected and Quantified	17	ng/L	Affoltern,Zwillikon	24417318