Details of the Drug

General Information of Drug (ID: DMLTROU)

Drug Name

N-(2-(furan-2-yl)-3,4'-bipyridin-6-yl)acetamide

Synonyms

CHEMBL1081811; BDBM50312964

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)

279.29

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H13N3O2
IUPAC Name: N-[6-(furan-2-yl)-5-pyridin-4-ylpyridin-2-yl]acetamide
Canonical SMILES: CC(=O)NC1=NC(=C(C=C1)C2=CC=NC=C2)C3=CC=CO3
InChI: InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20)
InChIKey: STFZQXRQDWXSGW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[1]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of N-(5,6-diarylpyridin-2-yl)amide derivatives as potent and selective A(2B) adenosine receptor antagonists. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1697-700.