General Information of the Compound
Compound ID
CP0073193
Compound Name
(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID
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Synonyms
(-)-DRF-2725
(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID
(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
(2S)-2-ethoxy-3-{4-[2-(phenoxazin-10-yl)ethoxy]phenyl}propanoic acid
(S)-2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid
1nyx
2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid
AC1L9KVW
BDBM50109551
CHEMBL24038
DB07675
DRF
DRF-2725
DRF2725
GTPL2664
NN-622
NNC-61-0029
Ragaglitazar
SCHEMBL4822459
WMUIIGVAWPWQAW-DEOSSOPVSA-N
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Structure
Formula
C25H25NO5
Molecular Weight
419.477
Canonical SMILES
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
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InChI
InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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InChIKey
WMUIIGVAWPWQAW-DEOSSOPVSA-N
Physicochemical Property
logP
5.0416
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
68.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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).

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PubChem ID
CID: 447458
SID: 14880226
ChEMBL ID
CHEMBL24038
DrugBank ID
DB07675
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 2800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 3200 nM
2 EC50 = 3210 nM
3 EC50 = 3235.94 nM
4 IC50 = 980 nM
5 Ki = 980 nM
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 570 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 570 nM
2 EC50 = 575.44 nM
3 IC50 = 92 nM
4 Ki = 90 nM
Clinical Information about the Compound
Drug 1 ( Ragaglitazar )
Drug Name Ragaglitazar
Indication
Type-1 diabetes
Phase 3
Target(s)
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)
 Target Info 
Modulator
Peroxisome proliferator-activated receptor alpha (PPARA)
 Target Info 
Modulator