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CHEBI:134689 - rucaparib
| Formula | C19H18FN3O |
| Net Charge | 0 |
| Average Mass | 323.371 |
| Monoisotopic Mass | 323.14339 |
| SMILES | CNCc1ccc(-c2nc3cc(F)cc4c3c2CCNC4=O)cc1 |
| InChI | InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) |
| InChIKey | HMABYWSNWIZPAG-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD+ ADP-ribosyltransferase (EC 2.4.2.30). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rucaparib (CHEBI:134689) has role antineoplastic agent (CHEBI:35610) |
| rucaparib (CHEBI:134689) has role EC 2.4.2.30 (NAD+ ADP-ribosyltransferase) inhibitor (CHEBI:62913) |
| rucaparib (CHEBI:134689) is a azepinoindole (CHEBI:134691) |
| rucaparib (CHEBI:134689) is a caprolactams (CHEBI:23000) |
| rucaparib (CHEBI:134689) is a organofluorine compound (CHEBI:37143) |
| rucaparib (CHEBI:134689) is a secondary amino compound (CHEBI:50995) |
| rucaparib (CHEBI:134689) is conjugate base of rucaparib(1+) (CHEBI:134695) |
| Incoming Relation(s) |
| rucaparib(1+) (CHEBI:134695) is conjugate acid of rucaparib (CHEBI:134689) |
| IUPAC Name |
|---|
| 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one |
| INNs | Source |
|---|---|
| rucaparib | WHO MedNet |
| rucaparibum | WHO MedNet |
| rucaparib | WHO MedNet |
| rucaparib | WHO MedNet |
| Synonym | Source |
|---|---|
| AG-14447 | ChemIDplus |
| Citations |
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