Details of the Drug

General Information of Drug (ID: DM0DRO8)

Drug Name

LUF-5437

Synonyms

LUF-5437; CHEMBL164745; SCHEMBL4243345; BDBM50097451

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)

297.3

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H11N3O2S
IUPAC Name: 4-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
Canonical SMILES: C1=CC=C(C=C1)C2=NSC(=N2)NC(=O)C3=CC=C(C=C3)O
InChI: InChI=1S/C15H11N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-9,19H,(H,16,17,18,20)
InChIKey: MIJWZALSSVTKAQ-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.