vardenafil   

GtoPdb Ligand ID: 7320

Synonyms: Levitra® | Vivanza®
vardenafil is an approved drug (EMA and FDA (2003))
Compound class: Synthetic organic
Comment: Vardenafil is a phosphodiesterase type 5 (PDE5A) inhibitor. Marketed formulations may contain vardenafil hydrochloride (PubChem CID 10142962).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 121.28
Molecular weight 488.22
XLogP 4.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOc1ccc(cc1c1nc(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CCN(CC1)CC
Isomeric SMILES CCOc1ccc(cc1c1nc(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CCN(CC1)CC
InChI InChI=1S/C23H32N6O4S/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)
InChI Key SECKRCOLJRRGGV-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA and FDA (2003))
IUPAC Name
2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one
International Nonproprietary Names
INN number INN
7950 vardenafil
Synonyms
Levitra® | Vivanza®
Database Links
CAS Registry No. 224785-90-4
ChEMBL Ligand CHEMBL1520
DrugBank Ligand DB00862
DrugCentral Ligand 2809
GtoPdb PubChem SID 178103893
PubChem CID 110634
RCSB PDB Ligand VDN
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SynPHARM 79463 (in complex with phosphodiesterase 5A)
Wikipedia vardenafil