General Information of the Compound
Compound ID
CP0037604
Compound Name
(S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
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Synonyms
(S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
1038915-60-4
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
2-{4-[(3S)-piperidin-3-yl]phenyl}indazole-7-carboxamide
2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide
BDBM50316226
CHEMBL1094636
CTK8B9123
DTXSID50146129
EX-A290
GTPL8275
HMC2H89N35
MK 4827
MK 4827 (Base)
MK-4827
MK-4827(Niraparib)
MK4827
MolPort-023-219-142
Niraparib (USAN)
Niraparib [USAN:INN]
SCHEMBL1421875
UNII-HMC2H89N35
ZINC43206370
Zejula (TN)
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Structure
Formula
C19H20N4O
Molecular Weight
320.396
Canonical SMILES
NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1
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InChI
InChI=1S/C19H20N4O/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/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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InChIKey
PCHKPVIQAHNQLW-CQSZACIVSA-N
CAS
1038915-60-4
Physicochemical Property
logP
2.5914
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
72.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 24958200
SID: 56256045
ChEMBL ID
CHEMBL1094636
DrugBank ID
DB11793
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
CL000001 Jurkat Homo sapiens (Human)  2
1
EC50 = 200 nM
   TI
   LI
   LO
   TS
2
EC50 = 31000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM
2 IC50 = 3.2 nM
3 IC50 = 3.8 nM
4 IC50 = 8.05 nM
5 IC50 = 35 nM
6 Kd = 1 nM
7 Ki = 3.2 nM
Clinical Information about the Compound
Drug 1 ( MK-4827 )
Drug Name MK-4827
Company Merck
Indication
Ovarian cancer
Phase 3
Ovarian cancer
Phase 2
Breast cancer
Phase 2
Ewing sarcoma
Phase 1