Details of the Drug

General Information of Drug (ID: DMM0F2G)

Drug Name
N-Hexyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
Synonyms CHEMBL329499; N-Hexyl-2-(2-phenyl-1H-indol-3-yl)-acetamide; BDBM50045876
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): 1 Molecular Weight (mw) 334.5
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H26N2O
IUPAC Name
N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide
Canonical SMILES
CCCCCCNC(=O)CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O/c1-2-3-4-10-15-23-21(25)16-19-18-13-8-9-14-20(18)24-22(19)17-11-6-5-7-12-17/h5-9,11-14,24H,2-4,10,15-16H2,1H3,(H,23,25)
InChIKey
SVHWOYODYBUWLL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10065495
CAS Number
145040-30-8
TTD ID
D0N6IL

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.