Fidaxomicin (CED0005228)

Record Information

Version

1.0

Creation Date

2026-04-04 18:11:51 UTC

Update Date

2026-05-14 19:00:20 UTC

SynCED ID

CED0005228

Secondary Accession Numbers

CHEM077365

Identification

Common Name

Fidaxomicin

Class

Small Molecule

Description

Fidaxomicin belongs to the macrolides and analogues, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 1,058 g/mol, Fidaxomicin is a heavy molecule with the formula C52H74Cl2O18. It is utilized within healthcare, pharmaceuticals, and veterinary products as an intestinal antiinfective, with oral exposure as the recorded route. In terms of biological activity, Fidaxomicin acts as an inhibitor of the RNA polymerase sigma factor SigA (sigA1).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₂H₇₄Cl₂O₁₈

Average Molecular Mass

1058.050 g/mol

Monoisotopic Mass

1056.425 g/mol

CAS Registry Number

873857-62-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@@]1(O[C@@H]2[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]3O[C@H](C)[C@@H](OC(=O)C4=C(CC)C(Cl)=C(O)C(Cl)=C4O)[C@H](O)[C@@H]3OC)\C(=O)O[C@@H](C\C=C(/C)\C=C2/C)[C@@H](C)O)OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3

InChI Key

ZVGNESXIJDCBKN-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0adu-9013106231-8b100e93d723820e485b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0005-0219500410-16f65c6eeccf09ecaff9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-2913401120-e9826f7c88ef0919a989	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014r-8020001019-706298d16ab77d967c67	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f79-9241100003-79b51dc26a4ff7a5bd17	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0019-8329301000-011fc29157be92330ec0	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
CEDs000254	Intestinal antiinfectives?Intestinal antiinfectives are a class of synthetic chemicals designed to target and eliminate pathogenic microorganisms within the gastrointestinal tract.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	Not Available
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	Not Available
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	Not Available
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	Not Available
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	Not Available
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	Not Available
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	Not Available
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	Not Available
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

1 pathwayPathway Source: PathBank

Fidaxomicin Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	DIS3-like exonuclease 2	Q8IYB7	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.216 Low confidence Statistical Significance 1.30e-04 Supporting Reference Compounds 1 E-value 1.01204
Click to view 3D structure	ATP synthase subunit beta, mitochondrial	P00830	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.206 Low confidence Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	Actin, alpha skeletal muscle	P68135	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.201 Low confidence Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.212 Low confidence Statistical Significance 0.739 Supporting Reference Compounds 391 E-value 5752.98
Click to view 3D structure	V-type proton ATPase subunit C	Q9U5N1	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 2.20e-04 Supporting Reference Compounds 1 E-value 1.71268
Click to view 3D structure	V-type proton ATPase subunit S1	Q15904	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.192 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 2 E-value 1.47914
Click to view 3D structure	DNA topoisomerase 2-alpha	P11388	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.178 Low confidence Statistical Significance 0.1609 Supporting Reference Compounds 27 E-value 1252.28
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.183 Low confidence Statistical Significance 0.8728 Supporting Reference Compounds 425 E-value 6794.91
Click to view 3D structure	E-selectin	P98105	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 10.1982
Click to view 3D structure	Solute carrier organic anion transporter family member 1B3	Q9NPD5	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.183 Low confidence Statistical Significance 0.3027 Supporting Reference Compounds 51 E-value 2356.5
Click to view 3D structure	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1	P54751	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.173 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 18.1389
Click to view 3D structure	Solute carrier organic anion transporter family member 1B1	Q9Y6L6	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.183 Low confidence Statistical Significance 0.5324 Supporting Reference Compounds 82 E-value 4144.61
Click to view 3D structure	ATP-dependent clpX-like chaperone, mitochondrial	O76031	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.17 Low confidence Statistical Significance 0.0058 Supporting Reference Compounds 1 E-value 44.8412
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.178 Low confidence Statistical Significance 0.8124 Supporting Reference Compounds 139 E-value 6324.16
Click to view 3D structure	Endoplasmin	P41148	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.18 Low confidence Statistical Significance 0.0761 Supporting Reference Compounds 17 E-value 592.666
Click to view 3D structure	DNA-directed RNA polymerase subunit beta	P9WGY9	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.172 Low confidence Statistical Significance 5.00e-04 Supporting Reference Compounds 2 E-value 3.89246
Click to view 3D structure	DNA ligase A	P9WNV1	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.166 Low confidence Statistical Significance 0.0741 Supporting Reference Compounds 1 E-value 576.629
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.178 Low confidence Statistical Significance 0.9655 Supporting Reference Compounds 674 E-value 7516.58
Click to view 3D structure	P2X purinoceptor 3	P56373	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.198 Low confidence Statistical Significance 0.5401 Supporting Reference Compounds 51 E-value 4204.33
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.175 Low confidence Statistical Significance 0.9944 Supporting Reference Compounds 1538 E-value 7741.64
Click to view 3D structure	Heat shock protein HSP 90-alpha	P07900	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.18 Low confidence Statistical Significance 0.7739 Supporting Reference Compounds 109 E-value 6025.06
Click to view 3D structure	Heat shock protein HSP 90-beta	P08238	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.18 Low confidence Statistical Significance 0.3884 Supporting Reference Compounds 30 E-value 3023.66
Click to view 3D structure	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	Q9H3H5	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0637 Supporting Reference Compounds 1 E-value 496.289
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.178 Low confidence Statistical Significance 0.8484 Supporting Reference Compounds 104 E-value 6605.12
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase FKBP1A	P26883	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.162 Low confidence Statistical Significance 8.30e-04 Supporting Reference Compounds 2 E-value 6.46149