belumosudil   Click here for help

GtoPdb Ligand ID: 9558

Synonyms: KD-025 | KD025 | Rezurock® | SLx 2119 | SLx2119
Approved drug Immunopharmacology Ligand
belumosudil is an approved drug (FDA (2021))
Compound class: Synthetic organic
Comment: Belumosudil (KD025) is an oral and selective inhbitor of Rho associated coiled-coil containing protein kinase 2 (ROCK2) [1], with clinical anti-inflammatory/immunomodulatory activity.
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 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 104.82
Molecular weight 452.2
XLogP 5.15
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CC(NC(=O)COc1cccc(c1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2)C
Isomeric SMILES CC(NC(=O)COc1cccc(c1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2)C
InChI InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2021))
IUPAC Name Click here for help
Synonyms Click here for help
KD-025 | KD025 | Rezurock® | SLx 2119 | SLx2119
Database Links Click here for help
ChEMBL Ligand CHEMBL2005186
GtoPdb PubChem SID 336446944
PubChem CID 11950170
Search Google for chemical match using the InChIKey GKHIVNAUVKXIIY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GKHIVNAUVKXIIY
UniChem Compound Search for chemical match using the InChIKey GKHIVNAUVKXIIY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GKHIVNAUVKXIIY-UHFFFAOYSA-N