Avanafil (CED0009156)

Record Information

Version

1.0

Creation Date

2026-04-14 16:04:38 UTC

Update Date

2026-08-22 00:45:18 UTC

SynCED ID

CED0009156

Secondary Accession Numbers

CHEM129726

Identification

Common Name

Avanafil

Class

Small Molecule

Description

Avanafil is an organic compound with the formula C23H26ClN7O3 and an average molecular weight of 483.95 g/mol. Avanafil belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. It is categorized as an organoheterocyclic compound. This substance acts as an inhibitor of cGMP-specific 3',5'-cyclic phosphodiesterase (PDE5A). It is found in or released from healthcare, pharmaceuticals & veterinary products, specifically urologicals, and is administered via the oral exposure route.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₃H₂₆ClN₇O₃

Average Molecular Mass

483.951 g/mol

Monoisotopic Mass

483.179 g/mol

CAS Registry Number

330784-47-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N2CCC[C@H]2CO)C(=O)NCC2=NC=CC=N2)C=C1

InChI Identifier

InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1

InChI Key

WEAJZXNPAWBCOA-INIZCTEOSA-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	splash10-00lr-2202900000-ab8b398bebae9c38a16f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0adj-0409200000-657a9456afe054017421	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0k96-9424000000-c17881b5643db0efd394	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0101900000-795f70f8a9244a1b2ec2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0w5c-0305900000-6892035256b75e4de097	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ftf-9324300000-41e970a77f4143e27c1d	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
442.0 Log mg/kg [250:790]	Rat	LD50	oral	predicted	Not Available	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
CEDs000326	Urologicals?Urologicals refer to a class of synthetic chemicals that are primarily used in the treatment of urinary tract disorders and related medical conditions.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	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
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	Not Available
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	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
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

Avanafil Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	Humans	Predicted (SEA)	Prediction Confidence Score 0.465 Applicability Domain 0.561 Statistical Significance 0.001 Supporting Reference Compounds 183 E-value 8.09632
Click to view 3D structure	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Q9HCR9	Humans	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 0.523 Statistical Significance 0.001 Supporting Reference Compounds 85 E-value 8.09632
Click to view 3D structure	Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha	P11541	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.371 Applicability Domain 0.523 Statistical Significance 7.00e-05 Supporting Reference Compounds 11 E-value 0.544945
Click to view 3D structure	Tyrosine-protein kinase receptor TYRO3	Q06418	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.359 Statistical Significance 0.0422 Supporting Reference Compounds 543 E-value 328.602
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.353 Statistical Significance 0.0348 Supporting Reference Compounds 528 E-value 270.915
Click to view 3D structure	D(2) dopamine receptor	Q9GJU1	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.322 Statistical Significance 7.40e-04 Supporting Reference Compounds 1 E-value 5.76084
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.344 Statistical Significance 0.0489 Supporting Reference Compounds 861 E-value 380.605
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.359 Statistical Significance 0.0741 Supporting Reference Compounds 927 E-value 577.096
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.359 Statistical Significance 0.0894 Supporting Reference Compounds 1157 E-value 696.128
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.324 Statistical Significance 0.0984 Supporting Reference Compounds 1301 E-value 765.803
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.322 Statistical Significance 0.0677 Supporting Reference Compounds 1103 E-value 526.806
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.36 Statistical Significance 0.1314 Supporting Reference Compounds 1498 E-value 1023.17
Click to view 3D structure	cGMP-specific 3',5'-cyclic phosphodiesterase	O77746	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.561 Statistical Significance 1.10e-04 Supporting Reference Compounds 12 E-value 0.856341
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.322 Statistical Significance 0.046 Supporting Reference Compounds 524 E-value 358.496
Click to view 3D structure	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	Humans	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.456 Statistical Significance 0.0052 Supporting Reference Compounds 146 E-value 40.4816
Click to view 3D structure	Tyrosine-protein kinase Mer	Q12866	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.359 Statistical Significance 0.025 Supporting Reference Compounds 196 E-value 194.545
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.359 Statistical Significance 0.1027 Supporting Reference Compounds 1158 E-value 799.823
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.359 Statistical Significance 0.0856 Supporting Reference Compounds 763 E-value 666.779
Click to view 3D structure	Tyrosine-protein kinase receptor UFO	P30530	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.359 Statistical Significance 0.061 Supporting Reference Compounds 475 E-value 474.958
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.323 Statistical Significance 0.1051 Supporting Reference Compounds 869 E-value 818.04
Click to view 3D structure	P-selectin	P16109	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.333 Statistical Significance 0.0014 Supporting Reference Compounds 11 E-value 10.8989
Click to view 3D structure	5-hydroxytryptamine receptor 4	Q62758	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.311 Statistical Significance 0.0045 Supporting Reference Compounds 55 E-value 34.7986
Click to view 3D structure	Insulin receptor	P06213	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.359 Statistical Significance 0.0996 Supporting Reference Compounds 772 E-value 775.534
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.323 Statistical Significance 0.1422 Supporting Reference Compounds 1130 E-value 1106.86
Click to view 3D structure	Peripheral plasma membrane protein CASK	O14936	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.314 Statistical Significance 0.0137 Supporting Reference Compounds 83 E-value 106.342