LY334370   Click here for help

GtoPdb Ligand ID: 20

Synonyms: LY 334370 | LY-334,370 | LY-334370
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 48.13
Molecular weight 351.17
XLogP 3.55
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F
Isomeric SMILES CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F
InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1F receptor Hs Agonist Full agonist 8.7 pKi - 1
pKi 8.7 (Ki 1.99x10-9 M) [1]
5-HT1A receptor Hs Agonist Full agonist 7.8 pKi - 1
pKi 7.8 [1]