General Information of the Compound
Compound ID
CP0700339
Compound Name
US9260440, 69
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Synonyms
BGB-290
Pamiparib
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Structure
Formula
C16H15FN4O
Molecular Weight
298.321
Canonical SMILES
C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
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InChI
InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1
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InChIKey
DENYZIUJOTUUNY-MRXNPFEDSA-N
CAS
1446261-44-4
Physicochemical Property
logP
2.0791
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
60.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135565554
SID: 163683729
ChEMBL ID
CHEMBL4112930
DrugBank ID
DB14769
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 0.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.9 nM
Clinical Information about the Compound
Drug 1 ( BGB-290 )
Drug Name BGB-290
Indication
Ovarian cancer
Phase 2
Solid tumour/cancer
Phase 1/2
Recurrent glioblastoma
Phase 1