Details of the Drug

General Information of Drug (ID: DM6L4J8)

Drug Name

3-(furan-3-yl)-1-methyl-1H-indole

Synonyms

CHEMBL207375; 3-(furan-3-yl)-1-methyl-1H-indole; 1H-Indole, 3-(3-furanyl)-1-methyl-; BDBM50182882

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

197.23

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H11NO
IUPAC Name: 3-(furan-3-yl)-1-methylindole
Canonical SMILES: CN1C=C(C2=CC=CC=C21)C3=COC=C3
InChI: InChI=1S/C13H11NO/c1-14-8-12(10-6-7-15-9-10)11-4-2-3-5-13(11)14/h2-9H,1H3
InChIKey: UFMJKAKKDCGNEF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)	TTTB4UP	IMDH2_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Low molecular weight indole fragments as IMPDH inhibitors. Bioorg Med Chem Lett. 2006 May 1;16(9):2535-8.