Details of the Drug

General Information of Drug (ID: DMFSJQC)

Drug Name

PMID24793884C74

Synonyms

GTPL8219; BDBM50016163

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

366.2

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C14H9Cl2N5OS
IUPAC Name: 2-(2-aminopyrimidin-4-yl)-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxamide
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C2=C(SC(=N2)C3=NC(=NC=C3)N)C(=O)N
InChI: InChI=1S/C14H9Cl2N5OS/c15-6-1-2-7(8(16)5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20)
InChIKey: CQNCHLJHIGRPDA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CDC7-related kinase (CDC7)	TTSMTDI	CDC7_HUMAN	Inhibitor	[1]
Oxidative stress responsive 1 (OXSR1)	TT7ZY03	OXSR1_HUMAN	Inhibitor	[1]
Yet another novel kinase 2 (STK32B)	TT4D2GZ	ST32B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and structure-activity relationship of trisubstituted thiazoles as Cdc7 kinase inhibitors. Eur J Med Chem. 2014 Jun 10;80:364-82.