Rucaparib phosphateProduct ingredient for Rucaparib
- Name
- Rucaparib phosphate
- 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
- DBSALT001983
- Structure
Structure for Rucaparib phosphate (DBSALT001983)
- Synonyms
- Not Available
- External IDs
- AG 014699 / AG-014699 / AG-14699 / AG014699 / PF-01367338 / PF01367338
- UNII
- H3M9955244
- CAS Number
- 459868-92-9
- Weight
- Average: 421.365
Monoisotopic: 421.120285949 - Chemical Formula
- C19H21FN3O5P
- InChI Key
- FCCGJTKEKXUBFZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H18FN3O.H3O4P/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;1-5(2,3)4/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);(H3,1,2,3,4)
- IUPAC Name
- 6-fluoro-2-{4-[(methylamino)methyl]phenyl}-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one; phosphoric acid
- SMILES
- OP(O)(O)=O.CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=CC(F)=CC(N1)=C23
- External Links
- ChemSpider
- 8107583
- ChEMBL
- CHEMBL2105733
- Predicted Properties
Property Value Source Water Solubility 0.0114 mg/mL ALOGPS logP 2.39 ALOGPS logP 2.45 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 13.16 Chemaxon pKa (Strongest Basic) 9.32 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 56.92 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 92.91 m3·mol-1 Chemaxon Polarizability 35.14 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon