Details of the Drug

General Information of Drug (ID: DM7LIDT)

Drug Name
CL-283796
Synonyms ACB-796; N-(4-Chloro-2,6-dimethylphenyl)-N'-heptyl-N'-[4-(3-methylbutyl)benzyl]urea
Indication
Disease Entry ICD 11 Status REF
Hyperlipidaemia 5C80 Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 457.1
Logarithm of the Partition Coefficient (xlogp) 9
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C28H41ClN2O
IUPAC Name
3-(4-chloro-2,6-dimethylphenyl)-1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]urea
Canonical SMILES
CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2=C(C=C(C=C2C)Cl)C
InChI
InChI=1S/C28H41ClN2O/c1-6-7-8-9-10-17-31(20-25-15-13-24(14-16-25)12-11-21(2)3)28(32)30-27-22(4)18-26(29)19-23(27)5/h13-16,18-19,21H,6-12,17,20H2,1-5H3,(H,30,32)
InChIKey
YQFGILAFZYCULR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9955733
TTD ID
D0E1UZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Liver carboxylesterase (CES1) TTMF541 EST1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hyperlipidaemia
ICD Disease Classification 5C80
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Liver carboxylesterase (CES1) DTT CES1 3.82E-08 1.86 1.9
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004604)
2 ACAT inhibitors CL 283,546 and CL 283,796 reduce LDL cholesterol without affecting cholesterol absorption in African green monkeys. J Lipid Res. 1995 Jun;36(6):1199-210.