ML SA1   

GtoPdb Ligand ID: 6386

Synonyms: ML-SA1
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 57.69
Molecular weight 362.16
XLogP 3.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC1CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2
Isomeric SMILES CC1CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2
InChI InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3
InChI Key KDDHBJICVBONAX-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
TRPML2 Hs Activator Activation - - 1x10-5 1
Conc range: 1x10-5 M [1]
Voltage: -140.0 mV
TRPML3 Hs Activator Activation - - 1x10-5 1
Conc range: 1x10-5 M [1]
Voltage: -140.0 mV
TRPML1 Hs Activator Activation 7.3 pEC50 - 1
pEC50 7.3 [1]
Voltage: -140.0 mV