Details of the Drug

General Information of Drug (ID: DMBFASY)

Drug Name
N,N-Diethyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
Synonyms CHEMBL99509; N,N-Diethyl-2-(2-phenyl-1H-indol-3-yl)-acetamide; BDBM50045858
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) 306.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C20H22N2O
IUPAC Name
N,N-diethyl-2-(2-phenyl-1H-indol-3-yl)acetamide
Canonical SMILES
CCN(CC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c1-3-22(4-2)19(23)14-17-16-12-8-9-13-18(16)21-20(17)15-10-6-5-7-11-15/h5-13,21H,3-4,14H2,1-2H3
InChIKey
JAQRBHPLECRUHQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9995335
TTD ID
D0T6NJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Translocator protein (TSPO) TTPTXIN TSPO_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Chemistry, binding affinities, and behavioral properties of a new class of "antineophobic" mitochondrial DBI receptor complex (mDRC) ligands. J Med Chem. 1993 Oct 1;36(20):2908-20.