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CHEBI:136049 - mirodenafil

ChEBI IDCHEBI:136049
ChEBI Namemirodenafil
Stars
DefinitionA member of the class of pyrrolopyrimidines that is 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one having a 5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl group at positon 2, ethyl group at position 5, and a propyl group at position 7. It is a phosphodiesterase type 5 inhibitor which is used for the treatment of erectile dysfunction.
Last Modified23 November 2020
DownloadsMolfile
FormulaC26H37N5O5S
Net Charge0
Average Mass531.679
Monoisotopic Mass531.25154
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc(=O)c2c(n1)c(CCC)cn2CC
InChIInChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)
InChIKeyMIJFNYMSCFYZNY-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 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor  An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that blocks the action of 3',5'-cyclic-GMP phosphodiesterase (EC 3.1.4.35).
Application:
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
mirodenafil (CHEBI:136049) has role EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor (CHEBI:71942)
mirodenafil (CHEBI:136049) has role vasodilator agent (CHEBI:35620)
mirodenafil (CHEBI:136049) is a N-alkylpiperazine (CHEBI:46845)
mirodenafil (CHEBI:136049) is a aromatic ether (CHEBI:35618)
mirodenafil (CHEBI:136049) is a primary alcohol (CHEBI:15734)
mirodenafil (CHEBI:136049) is a pyrrolopyrimidine (CHEBI:38670)
mirodenafil (CHEBI:136049) is a sulfonamide (CHEBI:35358)
IUPAC Name 
5-ethyl-2-(5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl)-7-propyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
INNs  Source
mirodenafilWHO MedNet
mirodénafilWHO MedNet
mirodenafilumWHO MedNet
mirodenafiloWHO MedNet
Synonyms  Source
SK3530DrugBank
SK-3530DrugBank
Manual XrefsDatabases
5005DrugCentral
DB11792DrugBank
MirodenafilWikipedia
KR20080062434Patent
10173481ChemSpider
Registry NumbersSources
CAS:862189-95-5ChemIDplus
Citations