Details of the Drug

General Information of Drug (ID: DM5YNTM)

Drug Name
Benzamide derivative 19
Synonyms PMID25470667-Compound-Figure5-14
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 430.5
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C25H26N4O3
IUPAC Name
N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopropyl]-4-ethoxybenzamide
Canonical SMILES
CCOC1=CC=C(C=C1)C(=O)NC2(CC2)C(=O)N[C@@H]3CCC4=CC=CC=C4N5C3=NC=C5
InChI
InChI=1S/C25H26N4O3/c1-2-32-19-10-7-18(8-11-19)23(30)28-25(13-14-25)24(31)27-20-12-9-17-5-3-4-6-21(17)29-16-15-26-22(20)29/h3-8,10-11,15-16,20H,2,9,12-14H2,1H3,(H,27,31)(H,28,30)/t20-/m1/s1
InChIKey
JIKPZJNVLNBRBQ-HXUWFJFHSA-N
Cross-matching ID
PubChem CID
53242014
TTD ID
D04EFQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Diacylglycerol acyltransferase 1 (DGAT1) TTF8P9I DGAT1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Diacylglycerol acyltransferase 1 (DGAT1) DTT DGAT1 3.51E-01 -0.41 -0.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Acyltransferase inhibitors: a patent review (2010-present).Expert Opin Ther Pat. 2015 Feb;25(2):145-58.