SKF96365   Click here for help

GtoPdb Ligand ID: 2441

Synonyms: SK&F96365 | SK-96365 | SKF-96365
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 0
Rotatable bonds 10
Topological polar surface area 45.51
Molecular weight 366.19
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1
Isomeric SMILES COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1
InChI InChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3
InChI Key HLMBXBGDBBCYII-UHFFFAOYSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPP1 Hs Channel blocker - - - 1x10-4 3
Conc range: 1x10-4 M [3]
Voltage: 0.0 mV
TRPC7 Mm Channel blocker Antagonist - - 2.5x10-5 2
Conc range: 2.5x10-5 M [2]
Voltage: -60.0 mV
TRPC6 Mm Channel blocker Antagonist 5.4 pIC50 - 1
pIC50 5.4 (IC50 4.2x10-6 M) [1]
Voltage: -60.0 mV
TRPC1 Hs Channel blocker - - - -
TRPC3 Hs Channel blocker - - - -
TRPC4 Hs Channel blocker - - - -
TRPC5 Hs Channel blocker - - - -
TRPV2 Hs Channel blocker - - - -
Ligand mentioned in the following text fields