Details of the Drug

General Information of Drug (ID: DMF1ZE6)

Drug Name

Benzofuran-2-yl(indolin-1-yl)methanone

Synonyms

CHEMBL496155; benzofuran-2-yl(indolin-1-yl)methanone; AC1LFLO9; Oprea1_781741; SCHEMBL2757847; MolPort-002-146-725; ZINC272979; BDBM50265522; ZINC 00272979; AKOS001474069; MCULE-1146733513; SR-01000206937; 1-benzofuran-2-yl(2,3-dihydroindol-1-yl)methanone

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)

263.29

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H13NO2
IUPAC Name: 1-benzofuran-2-yl(2,3-dihydroindol-1-yl)methanone
Canonical SMILES: C1CN(C2=CC=CC=C21)C(=O)C3=CC4=CC=CC=C4O3
InChI: InChI=1S/C17H13NO2/c19-17(16-11-13-6-2-4-8-15(13)20-16)18-10-9-12-5-1-3-7-14(12)18/h1-8,11H,9-10H2
InChIKey: NWLAYUVGWMPNSG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 780029
TTD ID: D0Y2OB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening. J Med Chem. 2009 Jan 22;52(2):416-24.