Details of the Drug

General Information of Drug (ID: DM4V7AS)

Drug Name

N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide

Synonyms

CHEMBL323332; N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide; SCHEMBL7018941; ACETAMIDE,N-[2-(5-METHOXY-3-BENZOFURANYL)- ETHYL]-; ZINC13474338; BDBM50037242; ACM27404359; 27404-35-9; 3-[2-(Acetylamino)ethyl]-5-methoxybenzofuran

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)

233.26

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H15NO3
IUPAC Name: N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide
Canonical SMILES: CC(=O)NCCC1=COC2=C1C=C(C=C2)OC
InChI: InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKey: BTVRPXLAXZPZPV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10059864
CAS Number: 27404-35-9
TTD ID: D0O2GK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melatonin receptor type 1A (MTNR1A)	TT0WAIE	MTR1A_HUMAN	Inhibitor	[1]
Melatonin receptor type 1B (MTNR1B)	TT32JK8	MTR1B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design and synthesis of benzofuranic derivatives as new ligands at the melatonin-binding site MT3. Bioorg Med Chem. 2008 May 1;16(9):4954-62.