GSK-264220A   Click here for help

GtoPdb Ligand ID: 6697

Compound class: Synthetic organic
Comment: Due to the irreversible nature of this compound's inhibition it is not being progressed as a drug.
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 2
Rotatable bonds 6
Topological polar surface area 100.03
Molecular weight 363.13
XLogP 1.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(Nc1ccccc1)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1
Isomeric SMILES O=C(Nc1ccccc1)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1
InChI InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
InChI Key LVOVQRPAMXCXTM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[2-methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea
Database Links Click here for help
CAS Registry No. 685506-42-7 (source: PubChem)
ChEMBL Ligand CHEMBL513349
GtoPdb PubChem SID 178103308
PubChem CID 2810413
Search Google for chemical match using the InChIKey LVOVQRPAMXCXTM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LVOVQRPAMXCXTM
Search UniChem for chemical match using the InChIKey LVOVQRPAMXCXTM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LVOVQRPAMXCXTM

Product suppliers

View disclaimer

Tocris
GSK 264220A
Cat. No. 3752