RKI-1447

Ligand id: 8152

Name: RKI-1447

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 115.38
Molecular weight 326.08
XLogP 2.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(3-hydroxyphenyl)methyl]-3-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]urea
Synonyms
compound 5g [PMID 23275831] [1] | RKI1447
Database Links
CAS Registry No. 1342278-01-6 (source: Scifinder)
ChEMBL Ligand CHEMBL3218011
PubChem CID 60138149
RCSB PDB Ligand 07R
Search Google for chemical match using the InChIKey GDVRVPIXWXOKQO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GDVRVPIXWXOKQO
Search UniChem for chemical match using the InChIKey GDVRVPIXWXOKQO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GDVRVPIXWXOKQO
SynPHARM 81554 (in complex with Rho associated coiled-coil containing protein kinase 1)
Comments
RKI-1447 is a pyridylthiazole-based urea analogue designed in the search for novel and biologically active Rho-associated protein kinase inhibitors [1].