[3H]SB-674042   Click here for help

GtoPdb Ligand ID: 1706

 Ligand is labelled  Ligand is radioactive
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 0
Rotatable bonds 6
Topological polar surface area 100.36
Molecular weight 448.14
XLogP 5.34
No. Lipinski's rules broken 1
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Canonical SMILES Cc1sc(c(n1)C(=O)N1CCCC1Cc1nnc(o1)c1ccccc1)c1ccccc1F
Isomeric SMILES Cc1nc(c(s1)c1ccccc1F)C(=O)N1CCC[C@H]1Cc1nnc(o1)c1c([3H])cccc1[3H]
InChI InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1/i8T,9T
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
OX1 receptor Hs Antagonist Antagonist 8.3 – 9.1 pKd - 1-3
pKd 8.3 – 9.1 (Kd 5.03x10-9 – 7.4x10-10 M) [1-3]
OX2 receptor Hs Antagonist Antagonist 6.9 pKd - 1-2
pKd 6.9 [1-2]
Ligand mentioned in the following text fields