General Information of the Compound
Compound ID
CP0077847
Compound Name
((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-amino)-acetic acid
    Show/Hide
Synonyms
331741-94-7
AC1L4FVP
BMS 298585
BMS-298585
BMS298585
CCRIS 9258
CHEMBL186179
CTK8E8901
DSSTox_CID_31508
DSSTox_GSID_57719
DSSTox_RID_97393
DTXSID9057719
IRLWJILLXJGJTD-UHFFFAOYSA-N
MURAGLITAZAR
MolPort-006-395-259
Muraglitazar
Muraglitazar (USAN/INN)
Muraglitazar [USAN:INN]
N-((4-methoxyphenoxy)carbonyl)-N-((4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)phenyl)methyl)glycine
N-[(4-Methoxyphenoxy)carbonyl]-N-[[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine
Pargluva
SCHEMBL676469
UNII-W1MKM70WQI
W1MKM70WQI
    Show/Hide
Structure
Formula
C29H28N2O7
Molecular Weight
516.55
Canonical SMILES
COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1
    Show/Hide
InChI
InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
    Show/Hide
InChIKey
IRLWJILLXJGJTD-UHFFFAOYSA-N
CAS
331741-94-7
Physicochemical Property
logP
5.36572
Rotatable Bonds
11
Heavy Atom Count
38
Polar Areas
111.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
38

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 206044
SID: 14787102
ChEMBL ID
CHEMBL186179
DrugBank ID
DB06510
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 40 nM
   TI
   LI
   LO
   TS
2
EC50 = 1410 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 150 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 595 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 240 nM
2 EC50 = 320 nM
3 EC50 = 1410 nM
4 IC50 = 190 nM
5 IC50 = 250 nM
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 3 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 35 nM
   TI
   LI
   LO
   TS
2
EC50 = 1410 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 90 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 35 nM
2 EC50 = 110 nM
3 EC50 = 120 nM
4 IC50 = 120 nM
5 IC50 = 190 nM
6 IC50 = 250 nM
Clinical Information about the Compound
Drug 1 ( MURAGLITAZAR )
Drug Name MURAGLITAZAR
Target(s)
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)
Modulator
Peroxisome proliferator-activated receptor alpha (PPARA)
Modulator