GLPG-1205

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Synonyms
Status
Molecule Category Free-form
UNII K9WR6LRA5D

Structure

InChI Key IRBAWVGZNJIROV-SFHVURJKSA-N
Smiles O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2
InChI
InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N2O4
Molecular Weight 378.43
AlogP 2.02
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 62.58
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
G-protein coupled receptor 84 negative allosteric modulator NEGATIVE ALLOSTERIC MODULATOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily
- - - - 57
Membrane receptor Family A G protein-coupled receptor
- 54 - 30.2 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 75 - - -
Homo sapiens
- 11-54 - 30.2 57
Rattus norvegicus
- 111 - - -

Target Conservation

Protein: G-protein coupled receptor 84
Description: G-protein coupled receptor 84
Organism : Homo sapiens
Q9NQS5 ENSG00000139572

Cross References

Resources Reference
ChEMBL CHEMBL3716365
DrugBank DB15346
FDA SRS K9WR6LRA5D
Guide to Pharmacology 10171
PubChem 71616860
SureChEMBL SCHEMBL15051377
ZINC ZINC000143015712
CONTENTS