loading...| Preferred Name |
rucaparib |
|
| Synonyms |
8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one rucaparibum AG-14447 rucaparib |
|
| Definitions |
A member of the class of azepinoindoles that is 1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one carrying additional 4-[(methylamino)methyl]phenyl and fluoro substituents at positions 2 and 8 respectively. It is an inhibitor of poly (ADP-ribose) polymerase and is used (as the camsylate salt) as monotherapy for advanced ovarian cancer and deleterious germline or somatic BRCA mutation. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_134689 |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:RPB PMID:27600766 PMID:33053351 Chemspider:8107584 PMID:33780687 DrugBank:DB12332 PMID:27908594 KEGG:D10079 PMID:33343988 PMID:30977683 CAS:283173-50-2 PMID:33515503 PMID:27866910 PMID:27228289 PMID:28790837 PMID:28205191 PMID:32241924 PMID:33369704 PMID:30830551 PMID:32495160 PMID:26438157 PMID:33752918 PMID:27087632 PMID:25689628 PMID:27128213 PMID:28057616 PMID:27940438 PMID:32717310 PMID:24900770 PMID:32173049 PMID:27415012 PMID:33332934 PMID:27002934 PMID:27702817 PMID:27515310 Wikipedia:Rucaparib PMID:32795228 PMID:27716873 Reaxys:11556434 PMID:33145877 PMID:28001384 LINCS:LSM-4947 PMID:28069724 PMID:32121331 |
|
| definition |
A member of the class of azepinoindoles that is 1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one carrying additional 4-[(methylamino)methyl]phenyl and fluoro substituents at positions 2 and 8 respectively. It is an inhibitor of poly (ADP-ribose) polymerase and is used (as the camsylate salt) as monotherapy for advanced ovarian cancer and deleterious germline or somatic BRCA mutation. |
|
| formula |
C19H18FN3O |
|
| has role | ||
| has_alternative_id |
CHEBI:94311 |
|
| has_exact_synonym |
8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
rucaparibum AG-14447 rucaparib |
|
| has_RxCUI |
1862579 |
|
| id |
CHEBI:134689 |
|
| in_subset | ||
| 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 |
|
| is conjugate base of | ||
| label |
rucaparib |
|
| mass |
323.371 |
|
| monoisotopicmass |
323.14339 |
|
| notation |
CHEBI:134689 |
|
| prefLabel |
rucaparib |
|
| smiles |
CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_37143 |