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CHEBI:66876 - avanafil
| Formula | C23H26ClN7O3 |
| Net Charge | 0 |
| Average Mass | 483.960 |
| Monoisotopic Mass | 483.17857 |
| SMILES | COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl |
| InChI | InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1 |
| InChIKey | WEAJZXNPAWBCOA-INIZCTEOSA-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.*). |
| Application: | vasodilator agent A drug used to cause dilation of the blood vessels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| avanafil (CHEBI:66876) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218) |
| avanafil (CHEBI:66876) has role vasodilator agent (CHEBI:35620) |
| avanafil (CHEBI:66876) is a aromatic amide (CHEBI:62733) |
| avanafil (CHEBI:66876) is a monocarboxylic acid amide (CHEBI:29347) |
| avanafil (CHEBI:66876) is a organochlorine compound (CHEBI:36683) |
| avanafil (CHEBI:66876) is a prolinols (CHEBI:59654) |
| avanafil (CHEBI:66876) is a pyrimidines (CHEBI:39447) |
| IUPAC Name |
|---|
| 4-[(3-chloro-4-methoxybenzyl)amino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide |
| INN | Source |
|---|---|
| avanafil | KEGG DRUG |
| Synonym | Source |
|---|---|
| (S)-4-(3-Chloro-4-methoxybenzylamino)-2-(2-hydroxymethylpyrrolidin-1-yl)-N-pyrimidin-2-ylmethyl-5-pyrimidinecarboxamide | ChemIDplus |
| Brand Name | Source |
|---|---|
| Stendra | KEGG DRUG |
| Citations |
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