GSK-461364A   Click here for help

GtoPdb Ligand ID: 5684

Synonyms: GSK 461364 | GSK-461364 | GSK461364 | GSK461364A
Compound class: Synthetic organic
Comment: GSK-461364A is an inhibitor of polo-like kinase 1 (PLK1) [2]. It was tested in preclinical studies.
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 1
Rotatable bonds 8
Topological polar surface area 104.34
Molecular weight 543.19
XLogP 3.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CN1CCN(CC1)Cc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)OC(c1ccccc1C(F)(F)F)C
Isomeric SMILES CN1CCN(CC1)Cc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1C(F)(F)F)C
InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
InChI Key ZHJGWYRLJUCMRT-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-{6-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
Synonyms Click here for help
GSK 461364 | GSK-461364 | GSK461364 | GSK461364A
Database Links Click here for help
CAS Registry No. 929095-18-1
ChEMBL Ligand CHEMBL1908394
GtoPdb PubChem SID 178102311
PubChem CID 15983966
Search Google for chemical match using the InChIKey ZHJGWYRLJUCMRT-QGZVFWFLSA-N
Search Google for chemicals with the same backbone ZHJGWYRLJUCMRT
Search UniChem for chemical match using the InChIKey ZHJGWYRLJUCMRT-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone ZHJGWYRLJUCMRT