RUCAPARIB CAMSYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 41AX9SJ8KO
Parent Compound: RUCAPARIB

Structure

InChI Key INBJJAFXHQQSRW-STOWLHSFSA-N
Smiles CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H34FN3O5S
Molecular Weight 555.67
AlogP 2.98
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 56.92
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
PARP 1, 2 and 3 inhibitor INHIBITOR FDA

Target Conservation

Protein: PARP 1, 2 and 3
Description: Poly [ADP-ribose] polymerase 1
Organism : Homo sapiens
P09874 ENSG00000143799
Protein: PARP 1, 2 and 3
Description: Poly [ADP-ribose] polymerase 2
Organism : Homo sapiens
Q9UGN5 ENSG00000129484
Protein: PARP 1, 2 and 3
Description: Protein mono-ADP-ribosyltransferase PARP3
Organism : Homo sapiens
Q9Y6F1 ENSG00000041880

Cross References

Resources Reference
ChEBI 134692
ChEMBL CHEMBL3833368
FDA SRS 41AX9SJ8KO
PubChem 121490161
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