Details of the Drug

General Information of Drug (ID: DMET46L)

Drug Name

2-(pyrimidin-4-ylamino)thiazole-5-carbonitrile

Synonyms

CHEMBL202748; 2-(pyrimidin-4-ylamino)thiazole-5-carbonitrile; SCHEMBL5889065

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)

203.23

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C8H5N5S
IUPAC Name: 2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carbonitrile
Canonical SMILES: C1=CN=CN=C1NC2=NC=C(S2)C#N
InChI: InChI=1S/C8H5N5S/c9-3-6-4-11-8(14-6)13-7-1-2-10-5-12-7/h1-2,4-5H,(H,10,11,12,13)
InChIKey: SMNGUXOKYVUIRA-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	Potent 2-[(pyrimidin-4-yl)amine}-1,3-thiazole-5-carbonitrile-based inhibitors of VEGFR-2 (KDR) kinase. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1146-50.