OSI-930   Click here for help

GtoPdb Ligand ID: 9383

Synonyms: OSI 930 | OSI930
Compound class: Synthetic organic
Comment: OSI-930 is a multi-targeted kinase inhibitor, with potent inhibitory activity vs. Kit, KDR, CSF-1R, Flt1, c-Raf and Lck [1].
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 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 91.49
Molecular weight 443.09
XLogP 5.43
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(c1sccc1NCc1ccnc2c1cccc2)Nc1ccc(cc1)OC(F)(F)F
Isomeric SMILES O=C(c1sccc1NCc1ccnc2c1cccc2)Nc1ccc(cc1)OC(F)(F)F
InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
InChI Key FGTCROZDHDSNIO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(quinolin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
Synonyms Click here for help
OSI 930 | OSI930
Database Links Click here for help
BindingDB Ligand 50356877
ChEMBL Ligand CHEMBL1614710
GtoPdb PubChem SID 328083485
PubChem CID 9868037
Search Google for chemical match using the InChIKey FGTCROZDHDSNIO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FGTCROZDHDSNIO
Search UniChem for chemical match using the InChIKey FGTCROZDHDSNIO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FGTCROZDHDSNIO