SM 21   

GtoPdb Ligand ID: 6682

Synonyms: (±)-SM21 | (RS)-SM21 | SM-21
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 38.77
Molecular weight 337.14
XLogP 4.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCC(C(=O)OC1CC2CCC(C1)N2C)Oc1ccc(cc1)Cl
Isomeric SMILES CCC(C(=O)OC1CC2CCC(C1)N2C)Oc1ccc(cc1)Cl
InChI InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3
InChI Key WTPAXDRULIZRDJ-UHFFFAOYSA-N
Selectivity at other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
σ2 Hs Antagonist Antagonist 7.2 pIC50 - 1
pIC50 7.2 [1]