GW2433   Click here for help

GtoPdb Ligand ID: 2716

Synonyms: GW 2433 | GW-2433
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 78.87
Molecular weight 580.11
XLogP 7.11
No. Lipinski's rules broken 2
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Canonical SMILES O=C(N(CCc1c(F)cccc1Cl)CCCc1ccc(cc1)OC(C(=O)O)(C)C)Nc1cccc(c1Cl)Cl
Isomeric SMILES O=C(N(CCc1c(F)cccc1Cl)CCCc1ccc(cc1)OC(C(=O)O)(C)C)Nc1cccc(c1Cl)Cl
InChI InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-[3-[2-(2-chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid
Synonyms Click here for help
GW 2433 | GW-2433
Database Links Click here for help
BindingDB Ligand 28662
ChEMBL Ligand CHEMBL435278
GtoPdb PubChem SID 135650332
PubChem CID 1517
RCSB PDB Ligand 433
Search Google for chemical match using the InChIKey YMWJDWJXIXITMD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YMWJDWJXIXITMD
SynPHARM 6325 (in complex with Peroxisome proliferator-activated receptor-β/δ)
UniChem Compound Search for chemical match using the InChIKey YMWJDWJXIXITMD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YMWJDWJXIXITMD-UHFFFAOYSA-N