ARRY-502   Click here for help

GtoPdb Ligand ID: 10179

Synonyms: ARRY502 | example 237, enantiomer 1 [WO2009158426A1]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: ARRY-502 is an oral, potent and selective prostaglandin D2 receptor 2 (DP2) antagonist. It is the (4S) enantiomer of one of the chemical structures (example 237) claimed in Array Biopharma's patent WO2009158426A1
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 2
Rotatable bonds 9
Topological polar surface area 94.09
Molecular weight 515.09
XLogP 5.22
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCCC(c2cc1Cl)C(=O)O
Isomeric SMILES COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCC[C@@H](c2cc1Cl)C(=O)O
InChI InChI=1S/C26H23Cl2NO6/c1-33-22-12-17(27)5-2-15(22)8-10-29-25(30)16-3-6-18(7-4-16)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
ARRY502 | example 237, enantiomer 1 [WO2009158426A1]
Database Links Click here for help
Specialist databases
GPCRdb Ligand ARRY-502
Other databases
BindingDB Ligand 234938
CAS Registry No. 1202891-16-4 (source: PubChem)
GtoPdb PubChem SID 381118889
PubChem CID 131633366
Search Google for chemical match using the InChIKey QIDYUNXQPQEJEC-IBGZPJMESA-N
Search Google for chemicals with the same backbone QIDYUNXQPQEJEC
UniChem Compound Search for chemical match using the InChIKey QIDYUNXQPQEJEC-IBGZPJMESA-N
UniChem Connectivity Search for chemical match using the InChIKey QIDYUNXQPQEJEC-IBGZPJMESA-N