Details of the Drug

General Information of Drug (ID: DM1K0U5)

Drug Name
2-(2-Phenyl-1H-indol-3-yl)-N,N-dipropyl-acetamide
Synonyms CHEMBL327286; 2-(2-phenyl-1H-indol-3-yl)-N,N-dipropyl-acetamide; BDBM50045857
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) 334.5
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H26N2O
IUPAC Name
2-(2-phenyl-1H-indol-3-yl)-N,N-dipropylacetamide
Canonical SMILES
CCCN(CCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O/c1-3-14-24(15-4-2)21(25)16-19-18-12-8-9-13-20(18)23-22(19)17-10-6-5-7-11-17/h5-13,23H,3-4,14-16H2,1-2H3
InChIKey
VEAFPKIMCGYMFZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10449567
TTD ID
D0Z4SA

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.