Details of the Drug

General Information of Drug (ID: DMJ723D)

Drug Name

1-Phenyl-3-(4-pyridin-2-yl-thiazol-2-yl)-urea

Synonyms

CHEMBL164422; 1-Phenyl-3-(4-pyridin-2-yl-thiazol-2-yl)-urea; TCMDC-143133; BDBM50097425; AKOS028168115; 1-Phenyl-3-[4-(2-pyridyl)-2-thiazolyl]urea

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)

296.3

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H12N4OS
IUPAC Name: 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC=CC=N3
InChI: InChI=1S/C15H12N4OS/c20-14(17-11-6-2-1-3-7-11)19-15-18-13(10-21-15)12-8-4-5-9-16-12/h1-10H,(H2,17,18,19,20)
InChIKey: SDGJJDKFCDDMKK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Thiazole and thiadiazole analogues as a novel class of adenosine receptor antagonists. J Med Chem. 2001 Mar 1;44(5):749-62.