niraparib (zejula) Report issue

Small molecule Orphan Drug FDA Approved FDA Fast Track FDA Priority Review FDA
AACT ChEMBL DrugBank Drugs@FDA MeSH PubChem

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Chemistry

Mol. Mass

510.62

ALogP

2.59

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O.Cc1ccc(cc1)S(=O)(=O)[O-].NC(=O)c2cccc3cn(nc23)c4ccc(cc4)[C@@H]5CCC[NH2+]C5
  • InChIKey: ACNPUCQQZDAPJH-FMOMHUKBSA-N
    InChI=1S/C19H20N4O.C7H8O3S.H2O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-6-2-4-7(5-3-6)11(8,9)10;/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10);1H2/t14-;;/m1../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989922   ChEMBL
niraparib tosylate *

CHEMBL1094636   ChEMBL
niraparib

HMC2H89N35   NCATS
niraparib *

Niraparib   Wikipedia

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