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
SMILES / InChI / InChIKey
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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
InChI Key GPLUUMAKBFSDIE-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[[[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzamide
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
Search Google for chemical match using the InChIKey GPLUUMAKBFSDIE-QGZVFWFLSA-N
Search Google for chemicals with the same backbone GPLUUMAKBFSDIE
UniChem Compound Search for chemical match using the InChIKey GPLUUMAKBFSDIE-QGZVFWFLSA-N
UniChem Connectivity Search for chemical match using the InChIKey GPLUUMAKBFSDIE-QGZVFWFLSA-N