GW842166X

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VL1I6P2DZ8

Structure
InChI Key TWQYWUXBZHPIIV-UHFFFAOYSA-N
Smile O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F
InChI
InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17Cl2F3N4O2
Molecular Weight 449.26
AlogP 4.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 76.14
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Cannabinoid CB2 receptor agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
50-437 - - - 12

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 2 D010003 ClinicalTrials
Pain 2 D010146 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL225411
DrugBank DB11903
EPA CompTox DTXSID60216786
FDA SRS VL1I6P2DZ8
SureChEMBL SCHEMBL3015040
ZINC ZINC000003947932
CONTENTS