WAY-163909   Click here for help

GtoPdb Ligand ID: 229

Synonyms: WAY163909
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 15.27
Molecular weight 214.15
XLogP 2.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CC2C(C1)c1c3N2CCNCc3ccc1
Isomeric SMILES C1C[C@@H]2[C@H](C1)c1c3N2CCNCc3ccc1
InChI InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1
InChI Key XOSKJKGKWRIMGV-DGCLKSJQSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2C receptor Hs Agonist Full agonist 6.7 – 8.0 pKi - 1
pKi 6.7 – 8.0 (Ki 1.99x10-7 – 1x10-8 M) [1]