NS-49   Click here for help

GtoPdb Ligand ID: 481

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 100.8
Molecular weight 248.06
XLogP -0.06
No. Lipinski's rules broken 0
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Canonical SMILES NCC(c1cc(ccc1F)NS(=O)(=O)C)O
Isomeric SMILES NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O
InChI InChI=1S/C9H13FN2O3S/c1-16(14,15)12-6-2-3-8(10)7(4-6)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3/t9-/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
α1A-adrenoceptor Hs Agonist Partial agonist 6.2 pKi - 1
pKi 6.2 [1]
α1D-adrenoceptor Hs Agonist Partial agonist 5.4 pKi - 1
pKi 5.4 [1]
α1B-adrenoceptor Hs Agonist Partial agonist 5.1 pKi - 1
pKi 5.1 [1]