Details of the Drug

General Information of Drug (ID: DMDYKPC)

Drug Name
Lactam derivative 1
Synonyms PMID25470667-Compound-Figure5-13
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 401.2
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H14Cl2N4O2
IUPAC Name
4-amino-6-[4-(2,4-dichlorophenyl)phenyl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
Canonical SMILES
C1COC2=NC=NC(=C2C(=O)N1C3=CC=C(C=C3)C4=C(C=C(C=C4)Cl)Cl)N
InChI
InChI=1S/C19H14Cl2N4O2/c20-12-3-6-14(15(21)9-12)11-1-4-13(5-2-11)25-7-8-27-18-16(19(25)26)17(22)23-10-24-18/h1-6,9-10H,7-8H2,(H2,22,23,24)
InChIKey
QDUBGZSEYIQVEI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53472374
TTD ID
D0F6VD

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.