Details of the Drug

General Information of Drug (ID: DMKOX0N)

Drug Name

3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

Synonyms

CHEMBL198022; 3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide; SCHEMBL15514276

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)

181.22

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C7H7N3OS
IUPAC Name: 3-methyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
Canonical SMILES: CC1=C2C=C(SC2=NN1)C(=O)N
InChI: InChI=1S/C7H7N3OS/c1-3-4-2-5(6(8)11)12-7(4)10-9-3/h2H,1H3,(H2,8,11)(H,9,10)
InChIKey: MELHJKUYOBXOER-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_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
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2

Molecular Expression Atlas (MEA)

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References

1	Scaffold oriented synthesis. Part 1: Design, preparation, and biological evaluation of thienopyrazoles as kinase inhibitors. Bioorg Med Chem Lett. 2006 Jan 1;16(1):96-9.