EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:9139 - sildenafil
| Formula | C22H30N6O4S |
| Net Charge | 0 |
| Average Mass | 474.587 |
| Monoisotopic Mass | 474.20492 |
| SMILES | CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 |
| InChI | InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) |
| InChIKey | BNRNXUUZRGQAQC-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| 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) |
| sildenafil (CHEBI:9139) has role EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor (CHEBI:71942) |
| sildenafil (CHEBI:9139) has role vasodilator agent (CHEBI:35620) |
| sildenafil (CHEBI:9139) is a piperazines (CHEBI:26144) |
| sildenafil (CHEBI:9139) is a pyrazolopyrimidine (CHEBI:38669) |
| sildenafil (CHEBI:9139) is a sulfonamide (CHEBI:35358) |
| Incoming Relation(s) |
| sildenafil citrate (CHEBI:58987) has part sildenafil (CHEBI:9139) |
| IUPAC Name |
|---|
| 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| INN | Source |
|---|---|
| sildenafil | KEGG DRUG |
| Synonym | Source |
|---|---|
| 1-((3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:7673458 | Beilstein |
| CAS:139755-83-2 | KEGG COMPOUND |
| CAS:139755-83-2 | ChemIDplus |