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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.