GW766994   Click here for help

GtoPdb Ligand ID: 9680

Synonyms: GSK766994 | GW-766994
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GW766994 is an investigational CCR3 antagonist [5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 96.69
Molecular weight 450.12
XLogP 2.39
No. Lipinski's rules broken 0
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Canonical SMILES O=C(NCc1ccc(cc1)C(=O)N)NCC1OCCN(C1)Cc1ccc(c(c1)Cl)Cl
Isomeric SMILES O=C(NCc1ccc(cc1)C(=O)N)NC[C@H]1OCCN(C1)Cc1ccc(c(c1)Cl)Cl
InChI InChI=1S/C21H24Cl2N4O3/c22-18-6-3-15(9-19(18)23)12-27-7-8-30-17(13-27)11-26-21(29)25-10-14-1-4-16(5-2-14)20(24)28/h1-6,9,17H,7-8,10-13H2,(H2,24,28)(H2,25,26,29)/t17-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
GSK766994 | GW-766994
Database Links Click here for help
Specialist databases
GPCRdb Ligand GW766994
Other databases
ChEMBL Ligand CHEMBL2178574
GtoPdb PubChem SID 348353639
PubChem CID 9825034
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