Details of the Drug

General Information of Drug (ID: DMHBWM9)

Drug Name

N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide

Synonyms

CHEMBL164087; N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide; AC1N3WC4; N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide; Oprea1_401409; MolPort-004-132-922; BDBM50097430; AKOS017070888; N-[4-(2-pyridyl)thiazol-2-yl]benzamide

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)

281.3

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H11N3OS
IUPAC Name: N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=N3
InChI: InChI=1S/C15H11N3OS/c19-14(11-6-2-1-3-7-11)18-15-17-13(10-20-15)12-8-4-5-9-16-12/h1-10H,(H,17,18,19)
InChIKey: NNBHDRDMPNNEKO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4119262
TTD ID: D0P7MU

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)

MIA Detail

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.