Details of the Drug

General Information of Drug (ID: DMBLW1A)

Drug Name

Methyl 7-methoxy-4-phenylbenzofuran-2-ylcarbamate

Synonyms

CHEMBL598251

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)

3.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H15NO4
IUPAC Name: methyl 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)OC
InChI: InChI=1S/C17H15NO4/c1-20-14-9-8-12(11-6-4-3-5-7-11)13-10-15(22-16(13)14)18-17(19)21-2/h3-10H,1-2H3,(H,18,19)
InChIKey: CJZGJASKUWFLQA-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.