Details of the Drug

General Information of Drug (ID: DMV8QTR)

Drug Name
N,N-Dihexyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
Synonyms
CHEMBL98081; 142720-26-1; 1H-Indole-3-acetamide,N,N-dihexyl-2-phenyl-; ACMC-20n1pu; N,N-DIHEXYL-2-PHENYLINDOLE-3-ACETAMIDE; N,N-Dihexyl-2-(2-phenyl-1H-indol-3-yl)-acetamide; CTK4C3254; DTXSID30440213; ZINC13833112; BDBM50045894; AKOS015965050
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): 2 Molecular Weight (mw) 418.6
Logarithm of the Partition Coefficient (xlogp) 7.8
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C28H38N2O
IUPAC Name
N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide
Canonical SMILES
CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C28H38N2O/c1-3-5-7-14-20-30(21-15-8-6-4-2)27(31)22-25-24-18-12-13-19-26(24)29-28(25)23-16-10-9-11-17-23/h9-13,16-19,29H,3-8,14-15,20-22H2,1-2H3
InChIKey
GGNLGBYSSQXGBN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10454732
CAS Number
142720-26-1
TTD ID
D08XEQ

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.