KPR-5714   Click here for help

GtoPdb Ligand ID: 10698

Synonyms: KPR 5714 | KPR5714
Compound class: Synthetic organic
Comment: Selective Transient Receptor Potential Melastatin 8 (TRPM8) antagonist.
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 3
Rotatable bonds 9
Topological polar surface area 108.72
Molecular weight 474.14
XLogP 5.29
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OCC([C@H](NC(=O)c1cccc(c1c1[nH]nc(c1)c1ccc(cc1)F)F)Cn1nccn1)(F)F
Isomeric SMILES OCC([C@H](NC(=O)c1cccc(c1c1[nH]nc(c1)c1ccc(cc1)F)F)Cn1nccn1)(F)F
InChI InChI=1S/C22H18F4N6O2/c23-14-6-4-13(5-7-14)17-10-18(31-30-17)20-15(2-1-3-16(20)24)21(34)29-19(22(25,26)12-33)11-32-27-8-9-28-32/h1-10,19,33H,11-12H2,(H,29,34)(H,30,31)/t19-/m1/s1
InChI Key UEPRFRHXFVOHAM-LJQANCHMSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
KPR 5714 | KPR5714
Database Links Click here for help
GtoPdb PubChem SID 404859145
PubChem CID 135138454
Search Google for chemical match using the InChIKey UEPRFRHXFVOHAM-LJQANCHMSA-N
Search Google for chemicals with the same backbone UEPRFRHXFVOHAM
Search UniChem for chemical match using the InChIKey UEPRFRHXFVOHAM-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone UEPRFRHXFVOHAM