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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18FN3O
Molecular Weight 323.3641
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUCAPARIB

SMILES

CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(F)=CC(N2)=C34

InChI

InChIKey=HMABYWSNWIZPAG-UHFFFAOYSA-N
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)

HIDE SMILES / InChI
Molecular Formula C19H18FN3O
Molecular Weight 323.3641
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:25:47 UTC 2023
Edited
by admin
on Sat Dec 16 00:25:47 UTC 2023
Record UNII
8237F3U7EH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUCAPARIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
6H-AZEPINO(5,4,3-CD)INDOL-6-ONE, 8-FLUORO-1,3,4,5-TETRAHYDRO-2-(4-((METHYLAMINO)METHYL)PHENYL)-
Systematic Name English
RUCAPARIB [USAN]
Common Name English
rucaparib [INN]
Common Name English
6H-PYRROLO(4,3,2-EF)(2)BENZAZEPIN-6-ONE, 8-FLUORO-1,3,4,5-TETRAHYDRO-2-(4-((METHYLAMINO)METHYL)PHENYL)-
Systematic Name English
Rucaparib [WHO-DD]
Common Name English
AG-14447
Code English
8-FLUORO-2-(4-((METHYLAMINO)METHYL)PHENYL)-1,3,4,5-TETRAHYDRO-6H-AZEPINO(5,4,3-CD)INDOL-6-ONE
Systematic Name English
RUCAPARIB [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C62554
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
WHO-ATC L01XX55
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
NDF-RT N0000191623
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
FDA ORPHAN DRUG 374712
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
EU-Orphan Drug EU/3/12/1049
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
Code System Code Type Description
FDA UNII
8237F3U7EH
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
EVMPD
SUB74859
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
DRUG BANK
DB12332
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
PUBCHEM
9931954
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
DRUG CENTRAL
5203
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
CHEBI
134689
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL1173055
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
RXCUI
1862579
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
CAS
283173-50-2
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
USAN
XX-94
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
INN
9471
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
LACTMED
Rucaparib
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
NCI_THESAURUS
C137800
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID10182563
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
MERCK INDEX
m11980
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
DAILYMED
8237F3U7EH
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
WIKIPEDIA
RUCAPARIB
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
SMS_ID
100000136799
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY
NDF-RT
N0000191622
Created by admin on Sat Dec 16 00:25:47 UTC 2023 , Edited by admin on Sat Dec 16 00:25:47 UTC 2023
PRIMARY Poly(ADP-Ribose) Polymerase Inhibitors [MoA]
Related Record Type Details
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> SUBSTRATE
POLY (ADP-RIBOSE) POLYMERASE 3
TARGET -> INHIBITOR
IC50
OCT-1
TRANSPORTER -> INHIBITOR
MODERATE
Structure of RUCAPARIB CAMSYLATE
SALT/SOLVATE -> PARENT
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
REVERSIBLE
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
MAJOR
MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 1A2
METABOLIC ENZYME -> SUBSTRATE
In vitro, rucaparib was metabolized primarily by CYP2D6 and to a lesser extent by CYP1A2 and CYP3A4.
CYTOCHROME P450 2C9
METABOLIC ENZYME -> INHIBITOR
REVERSIBLE
MATE-2
METABOLIC ENZYME -> INHIBITOR
POLY (ADP-RIBOSE) POLYMERASE 2
TARGET -> INHIBITOR
IC50
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
CYTOCHROME P450 2C19
METABOLIC ENZYME -> INHIBITOR
REVERSIBLE
Structure of RUCAPARIB PHOSPHATE
SALT/SOLVATE -> PARENT
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
In vitro, rucaparib was metabolized primarily by CYP2D6 and to a lesser extent by CYP1A2 and CYP3A4.
CYTOCHROME P450 1A2
METABOLIC ENZYME -> INHIBITOR
REVERSIBLE
CYTOCHROME P450 1A2
METABOLIC ENZYME -> INDUCER
Related Record Type Details
Structure of 4-(8-FLUORO-6-METHYL-1-OXO-2,3,4,6-TETRAHYDRO-1H-AZEPINO(5,4,3-CD)INDOL-5-YL)BENZOIC ACID
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of BENZAMIDE, 4-(8-FLUORO-3,4,5,6-TETRAHYDRO-6-OXO-1H-PYRROLO(4,3,2-EF)(2)BENZAZEPIN-2-YL)-N-METHYL-
METABOLITE -> PARENT
Structure of BENZOIC ACID, 4-(8-FLUORO-3,4,5,6-TETRAHYDRO-6-OXO-1H-PYRROLO(4,3,2-EF)(2)BENZAZEPIN-2-YL)-
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of 6H-PYRROLO(4,3,2-EF)(2)BENZAZEPIN-6-ONE, 2-(4-(AMINOMETHYL)PHENYL)-8-FLUORO-1,3,4,5-TETRAHYDRO-
METABOLITE -> PARENT
MINOR
Structure of N-(4-(8-FLUORO-1-OXO-2,3,4,6-TETRAHYDRO-1H-AZEPINO(5,4,3-CD)INDOL-5-YL)BENZYL)FORMAMIDE
METABOLITE -> PARENT
Related Record Type Details
Structure of RUCAPARIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
blood-to-plasma ratio PHARMACOKINETIC
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