Details of the Drug

General Information of Drug (ID: DM9V6AU)

Drug Name
FR-129169
Indication
Disease Entry ICD 11 Status REF
Arteriosclerosis BD40 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 443.6
Logarithm of the Partition Coefficient (xlogp) 8
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C30H37NO2
IUPAC Name
N-(1,2-diphenylethyl)-2-(2-octoxyphenyl)acetamide
Canonical SMILES
CCCCCCCCOC1=CC=CC=C1CC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C30H37NO2/c1-2-3-4-5-6-15-22-33-29-21-14-13-20-27(29)24-30(32)31-28(26-18-11-8-12-19-26)23-25-16-9-7-10-17-25/h7-14,16-21,28H,2-6,15,22-24H2,1H3,(H,31,32)
InChIKey
XUCJTVYTRXSOJC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9803486
CAS Number
143895-84-5
TTD ID
D00KQT

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 Arteriosclerosis
ICD Disease Classification BD40
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 800002683)
2 Plasma cholesterol reducing effect of FR129169, a novel acyl-CoA:cholesterol acyltransferase inhibitor, in the rat. Jpn J Pharmacol. 1996 Jan;70(1):35-41.