Details of the Drug

General Information of Drug (ID: DMWN9XU)

Drug Name

Phenyl 7-methoxy-4-phenylbenzofuran-2-ylcarbamate

Synonyms

CHEMBL597237

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): 1

Molecular Weight (mw)

359.4

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H17NO4
IUPAC Name: phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
Canonical SMILES: COC1=C2C(=C(C=C1)C3=CC=CC=C3)C=C(O2)NC(=O)OC4=CC=CC=C4
InChI: InChI=1S/C22H17NO4/c1-25-19-13-12-17(15-8-4-2-5-9-15)18-14-20(27-21(18)19)23-22(24)26-16-10-6-3-7-11-16/h2-14H,1H3,(H,23,24)
InChIKey: LJHDOOYWZIWTJW-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	Synthetic studies on selective adenosine A2A receptor antagonists: synthesis and structure-activity relationships of novel benzofuran derivatives. Bioorg Med Chem Lett. 2010 Feb 1;20(3):1090-3.