Details of the Drug

General Information of Drug (ID: DM9K4WP)

Drug Name

N-(6-phenethyl-1H-indazol-3-yl)butyramide

Synonyms

CHEMBL1084684; N-(6-phenethyl-1H-indazol-3-yl)butyramide; SCHEMBL6489338

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

307.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H21N3O
IUPAC Name: N-[6-(2-phenylethyl)-1H-indazol-3-yl]butanamide
Canonical SMILES: CCCC(=O)NC1=NNC2=C1C=CC(=C2)CCC3=CC=CC=C3
InChI: InChI=1S/C19H21N3O/c1-2-6-18(23)20-19-16-12-11-15(13-17(16)21-22-19)10-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H2,20,21,22,23)
InChIKey: FEGHHCWVRCSXNL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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
Glycogen synthase kinase-3 beta (GSK-3B)	DTT	GSK3B	1.26E-01	-0.23	-0.77

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg Med Chem Lett. 2010 Mar 15;20(6):1985-9.