Details of the Drug

General Information of Drug (ID: DMM2AR3)

Drug Name
3-(furan-3-yl)-1H-indole
Synonyms CHEMBL381132; 155440-58-7; 3-(3-furyl)indole; 3-(furan-3-yl)-1H-indole; 3-(3-Furanyl)-1H-indole; BDBM50182886
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) 183.21
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H9NO
IUPAC Name
3-(furan-3-yl)-1H-indole
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C3=COC=C3
InChI
InChI=1S/C12H9NO/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-8,13H
InChIKey
AFKNGDFJVAPDNN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10607518
TTD ID
D08OSM

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.