capsazepine   Click here for help

GtoPdb Ligand ID: 2461

PDB Ligand
Compound class: Synthetic organic
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 2
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 87.82
Molecular weight 376.1
XLogP 4.56
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Clc1ccc(cc1)CCNC(=S)N1CCCc2c(C1)cc(O)c(c2)O
Isomeric SMILES Clc1ccc(cc1)CCNC(=S)N1CCCc2c(C1)cc(O)c(c2)O
InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
1. Behrendt HJ, Germann T, Gillen C, Hatt H, Jostock R. (2004)
Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay.
Br J Pharmacol, 141 (4): 737-45. [PMID:14757700]
2. McIntyre P, McLatchie LM, Chambers A, Phillips E, Clarke M, Savidge J, Toms C, Peacock M, Shah K, Winter J et al.. (2001)
Pharmacological differences between the human and rat vanilloid receptor 1 (VR1).
Br J Pharmacol, 132 (5): 1084-94. [PMID:11226139]