ragaglitazar   Click here for help

GtoPdb Ligand ID: 2664

PDB Ligand
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 68.23
Molecular weight 419.17
XLogP 4.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCOC(C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2
Isomeric SMILES CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2
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
InChI Key WMUIIGVAWPWQAW-DEOSSOPVSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
8110 ragaglitazar
Database Links Click here for help
CAS Registry No. 222834-30-2 (source: Scifinder)
ChEMBL Ligand CHEMBL24038
GtoPdb PubChem SID 135650882
PubChem CID 447458
RCSB PDB Ligand DRF
Search Google for chemical match using the InChIKey WMUIIGVAWPWQAW-DEOSSOPVSA-N
Search Google for chemicals with the same backbone WMUIIGVAWPWQAW
Search PubMed clinical trials ragaglitazar
Search PubMed titles ragaglitazar
Search PubMed titles/abstracts ragaglitazar
Search UniChem for chemical match using the InChIKey WMUIIGVAWPWQAW-DEOSSOPVSA-N
Search UniChem for chemicals with the same backbone WMUIIGVAWPWQAW
SynPHARM 6339 (in complex with Peroxisome proliferator-activated receptor-γ)