Details of the Drug

General Information of Drug (ID: DMCX6MD)

Drug Name
AVE-8134
Synonyms PPAR alpha agonist, Genfit
Indication
Disease Entry ICD 11 Status REF
Heart failure BD10-BD13 Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 381.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H23NO5
IUPAC Name
2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid
Canonical SMILES
CC1=C(C(=CC=C1)COCCCOCC2=COC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)13-26-11-6-12-27-14-19-15-28-21(23-19)17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3,(H,24,25)
InChIKey
WLHOBCUVPMOXAT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11625114
CAS Number
304025-09-0
TTD ID
D0R5QQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Peroxisome proliferator-activated receptor alpha (PPARA) TTJ584C PPARA_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Heart failure
ICD Disease Classification BD10-BD13
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Peroxisome proliferator-activated receptor alpha (PPARA) DTT PPARA 1.74E-01 -0.17 -0.3
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 800021122)
2 The peroxisome proliferator-activated receptor-alpha (PPAR-alpha) agonist, AVE8134, attenuates the progression of heart failure and increases survival in rats. Acta Pharmacol Sin. 2009 Jul;30(7):935-46.