Details of the Drug

General Information of Drug (ID: DMPYB93)

Drug Name

2-Benzyl-2H-indazole-7-carboxamide

Synonyms

CHEMBL1094951; 2-Benzyl-2H-indazole-7-carboxamide; SCHEMBL2268172

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

251.28

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H13N3O
IUPAC Name: 2-benzylindazole-7-carboxamide
Canonical SMILES: C1=CC=C(C=C1)CN2C=C3C=CC=C(C3=N2)C(=O)N
InChI: InChI=1S/C15H13N3O/c16-15(19)13-8-4-7-12-10-18(17-14(12)13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,16,19)
InChIKey: FCHCPSCDAOGWGQ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Poly [ADP-ribose] polymerase 1 (PARP1)	DTT	PARP1	5.01E-05	1.02	2.68

Molecular Expression Atlas (MEA)

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References

1	Discovery of 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827): a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor effica... J Med Chem. 2009 Nov 26;52(22):7170-85.