AVANAFIL

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G04BE10
UNII DR5S136IVO
EPA CompTox DTXSID50186727

Structure

InChI Key WEAJZXNPAWBCOA-INIZCTEOSA-N
Smiles COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26ClN7O3
Molecular Weight 483.96
AlogP 1.85
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 128.62
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 5A inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- 5.2 - 5 66-84
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 5.2 - - -
Homo sapiens
- - - 5 66-84

Target Conservation

Protein: Phosphodiesterase 5A
Description: cGMP-specific 3',5'-cyclic phosphodiesterase
Organism : Homo sapiens
O76074 ENSG00000138735

Cross References

Resources Reference
ChEBI 66876
ChEMBL CHEMBL1963681
DrugBank DB06237
DrugCentral 4305
FDA SRS DR5S136IVO
Guide to Pharmacology 7448
PDB E6L
PubChem 9869929
SureChEMBL SCHEMBL118799
ZINC ZINC000011677857
CONTENTS