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CHEBI:46295 - vardenafil

Default Structure
ChEBI IDCHEBI:46295
ChEBI Namevardenafil
Stars
DefinitionThe sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H32N6O4S
Net Charge0
Average Mass488.614
Monoisotopic Mass488.22057
SMILESCCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12
InChIInChI=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)
InChIKeySECKRCOLJRRGGV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor  An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
vardenafil (CHEBI:46295) has role antihypertensive agent (CHEBI:35674)
vardenafil (CHEBI:46295) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218)
vardenafil (CHEBI:46295) has role vasodilator agent (CHEBI:35620)
vardenafil (CHEBI:46295) is a N-alkylpiperazine (CHEBI:46845)
vardenafil (CHEBI:46295) is a N-sulfonylpiperazine (CHEBI:46918)
vardenafil (CHEBI:46295) is a imidazotriazine (CHEBI:46906)
IUPAC Name 
2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one
Synonyms  Source
2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONEPDBeChem
BAY-389456ChEMBL
BAY38-9456ChEMBL
VardenafilChEMBL
Brand Name  Source
LevitraDrugBank
Manual XrefsDatabases
2809DrugCentral
D08668KEGG DRUG
DB00862DrugBank
LSM-2292LINCS
VardenafilWikipedia
VDNPDBeChem
Registry NumbersSources
Reaxys:9967331Reaxys
CAS:224785-90-4ChemIDplus
Citations