Details of the Drug

General Information of Drug (ID: DMX5FYZ)

Drug Name
Lactam derivative 5
Synonyms PMID25470667-Compound-Figure5-8
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 510.6
Logarithm of the Partition Coefficient (xlogp) 6.4
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C28H38N4O5
IUPAC Name
2-[4-[4-(4-amino-2-heptoxy-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohexyl]acetic acid
Canonical SMILES
CCCCCCCOC1=NC(=C2C(=N1)OCCN(C2=O)C3=CC=C(C=C3)C4CCC(CC4)CC(=O)O)N
InChI
InChI=1S/C28H38N4O5/c1-2-3-4-5-6-16-37-28-30-25(29)24-26(31-28)36-17-15-32(27(24)35)22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-23(33)34/h11-14,19-20H,2-10,15-18H2,1H3,(H,33,34)(H2,29,30,31)
InChIKey
ZERDUDAYCJCZOG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60194497
TTD ID
D04QGW

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.