Details of the Drug

General Information of Drug (ID: DM4IA92)

Drug Name

N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)-benzamide

Synonyms

N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide; CHEMBL165783; AC1M3OE0; N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)-benzamide; MolPort-000-646-915; HMS3451M02; ZINC2889428; STL202734; BDBM50097440; AKOS000813205; MCULE-2440953367; UPCMLD0ENAT5889812:001; ST45223360; VU0618368-1; N-(3-Phenyl-1,2,4-thiadiazole-5-yl)benzamide; phenyl-N-(3-phenyl(1,2,4-thiadiazol-5-yl))carboxamide; F3394-1092

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)

3.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H11N3OS
IUPAC Name: N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
Canonical SMILES: C1=CC=C(C=C1)C2=NSC(=N2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19)
InChIKey: AYSLYXJUYHXKHV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2241548
TTD ID: D0YE5K

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.