GLPG-1205

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K9WR6LRA5D

Structure
InChI Key IRBAWVGZNJIROV-SFHVURJKSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 62.58
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
NEGATIVE ALLOSTERIC MODULATOR G-protein coupled receptor 84 negative allosteric modulator PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 34600 - - -
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 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colitis, Ulcerative 2 D003093 ClinicalTrials
Idiopathic Pulmonary Fibrosis 2 D054990 ClinicalTrials

Related Entries

Scaffolds

Cross References

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