RUCAPARIB

Search structure
Synonyms:
Status: Approved (2016)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01XK03
UNII: 8237F3U7EH

Structure
InChI Key HMABYWSNWIZPAG-UHFFFAOYSA-N
Smile CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18FN3O
Molecular Weight 323.37
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

Action Mechanism of Action Reference
INHIBITOR PARP 1, 2 and 3 inhibitor PubMed
Primary Target
poly(ADP-ribose) polymerase 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
17 1-302 - 1-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Peritoneal Neoplasms 3 D010534 ClinicalTrials
Fallopian Tube Neoplasms 3 D005185 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Leiomyosarcoma 2 D007890 ClinicalTrials
Carcinoma, Pancreatic Ductal 2 D021441 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Hereditary Breast and Ovarian Cancer Syndrome 2 D061325 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Retroviridae Infections 2 D012192 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 283173-50-2
ChEBI 134689
ChEMBL CHEMBL1173055
DrugBank DB12332
DrugCentral 5203
EPA CompTox DTXSID10182563
FDA SRS 8237F3U7EH
Guide to Pharmacology 7736
PDB RPB
PharmGKB PA166163418
PubChem 9931954
SureChEMBL SCHEMBL844585
ZINC ZINC000000025958
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