Details of the Drug

General Information of Drug (ID: DMT58QE)

Drug Name
Lactam derivative 2
Synonyms PMID25470667-Compound-Figure5-15
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 406.8
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H15ClN6O2
IUPAC Name
4-amino-6-[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
Canonical SMILES
C1COC2=NC=NC(=C2C(=O)N1C3=CN=C4C(=C3)C=CN4C5=CC(=CC=C5)Cl)N
InChI
InChI=1S/C20H15ClN6O2/c21-13-2-1-3-14(9-13)26-5-4-12-8-15(10-23-18(12)26)27-6-7-29-19-16(20(27)28)17(22)24-11-25-19/h1-5,8-11H,6-7H2,(H2,22,24,25)
InChIKey
IHNUTZUAQGMDQV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71062853
TTD ID
D0U0MZ

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.