Rucaparib camsylateProduct ingredient for Rucaparib

Name
Rucaparib camsylate
Drug Entry
Rucaparib

Rucaparib is an anticancer drug and poly (ADP-ribose) polymerase (PARP) inhibitor. PARP is an enzyme that plays an essential role in DNA repair.1 Rucaparib is proposed to work in several PARP-dependent and PARP-independent mechanisms of action; however, it causes a unique effect of synthetic lethality. By targeting the genetically-mutated cancer cells that lack a DNA repair mechanism, rucaparib causes cancer cell death and reduces tumour growth.1,2

Rucaparib was granted FDA Breakthrough Therapy designation in April 2015 1 and accelerated approval in December 2016.4 The drug was later approved by the European Commission in May 2018.7 It is currently used to treat recurrent ovarian and prostate cancer in adults.6,7

Accession Number
DBSALT001982
Structure
Synonyms
Not Available
External IDs
C0-338 / PF-1367338-BW
UNII
41AX9SJ8KO
CAS Number
1859053-21-6
Weight
Average: 555.67
Monoisotopic: 555.220320544
Chemical Formula
C29H34FN3O5S
InChI Key
INBJJAFXHQQSRW-STOWLHSFSA-N
InChI
InChI=1S/C19H18FN3O.C10H16O4S/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;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.1/s1
IUPAC Name
6-fluoro-2-{4-[(methylamino)methyl]phenyl}-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13)-tetraen-9-one; [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid
SMILES
CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2.CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3
ChemSpider
57643660
ChEBI
134692
ChEMBL
CHEMBL3833368
Predicted Properties
PropertyValueSource
Water Solubility0.0114 mg/mLALOGPS
logP2.39ALOGPS
logP2.45ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)13.16ChemAxon
pKa (Strongest Basic)9.32ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area56.92 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity92.91 m3·mol-1ChemAxon
Polarizability35.15 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon