VARDENAFIL HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII IF61NL91H3
Parent Compound: VARDENAFIL

Structure

InChI Key XCMULUAPJXCOHI-UHFFFAOYSA-N
Smiles CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl
InChI
InChI=1S/C23H32N6O4S.ClH/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H33ClN6O4S
Molecular Weight 525.08
AlogP 2.07
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 112.9
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 5A inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1A
- 180 - - -
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1B
- 180 - - -
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- 0.7 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 180 - - -
Homo sapiens
- 0.7 - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL1339
FDA SRS IF61NL91H3
Guide to Pharmacology 7320
PDB VDN
PubChem 135413545
SureChEMBL SCHEMBL973820
ZINC ZINC18324776
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