SKI II

Ligand id: 6041

Name: SKI II

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 73.39
Molecular weight 302.03
XLogP 4.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
Synonyms
SKI 2
Database Links
CAS Registry No. 312636-16-1
ChEMBL Ligand CHEMBL1076555
PubChem CID 753704
RCSB PDB Ligand UUL
Search Google for chemical match using the InChIKey ZFGXZJKLOFCECI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZFGXZJKLOFCECI
Search UniChem for chemical match using the InChIKey ZFGXZJKLOFCECI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZFGXZJKLOFCECI
Comments
The discovery of this selective sphingosine kinase inhibitor is described in [2], where it is called compound II.
The above article cites [4] for the creation of the human sphingosine kinase protein used in their kinase assay. BLAST searches using the accession numbers in this article indicate the kinase assay was performed using the SPHK1 isozyme.