MK6-83   

GtoPdb Ligand ID: 9783

Compound class: Synthetic organic
Comment: Potent TRPML1 channel activator
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 86.03
Molecular weight 336.1
XLogP 2.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1
Isomeric SMILES Cc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1
InChI InChI=1S/C16H20N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h3-4,7-10,17H,2,5-6,11-12H2,1H3
InChI Key IRGYSXZCDAWOOC-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
TRPML1 Hs Activator Activation 7.0 – 7.0 pEC50 - 1
pEC50 7.0 [1]
Voltage: -200.0 mV
pEC50 7.0 (EC50 1.1x10-7 M) [1]
TRPML3 Hs Activator Activation - - - 2
[2]
Description: Measurement of intracellular calcium levels (fura-2 ratios F340/F380)