GLPG3970   Click here for help

GtoPdb Ligand ID: 12157

Synonyms: compound 88 [WO2019238424A1] | GLPG-3970
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GLPG3970's chemical structure was revealed during the first disclosures session at the 2022 ACS meeting in Chicago. This is Galapagos' oral, salt inducible kinase 2 and 3 (SIK2/3) inhibitor that was proposed for treating inflammatory diseases.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 68.54
Molecular weight 504.2
XLogP 3.74
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cc(cc2c1C(=O)N(CC2)CC(F)(F)F)c1cnc2n1ccc(c2)OCCN1CCOCC1
Isomeric SMILES COc1cc(cc2c1C(=O)N(CC2)CC(F)(F)F)c1cnc2n1ccc(c2)OCCN1CCOCC1
InChI InChI=1S/C25H27F3N4O4/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30/h3,5,12-15H,2,4,6-11,16H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 88 [WO2019238424A1] | GLPG-3970
Database Links Click here for help
CAS Registry No. 2403733-82-2 (source: PubChem)
ChEMBL Ligand CHEMBL4802154
GtoPdb PubChem SID 472319279
PubChem CID 146273261
Search Google for chemical match using the InChIKey XASOHFCUIQARJT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XASOHFCUIQARJT
UniChem Compound Search for chemical match using the InChIKey XASOHFCUIQARJT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XASOHFCUIQARJT-UHFFFAOYSA-N