LY344864   

GtoPdb Ligand ID: 21

Synonyms: LY 344864 | LY-344864
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 48.13
Molecular weight 351.17
XLogP 3.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C
Isomeric SMILES CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C
InChI InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)
InChI Key GKWHICIUSVVNGX-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1F receptor Hs Agonist Full agonist 8.2 pKi - 1
pKi 8.2 (Ki 6.31x10-9 M) [1]
5-HT1A receptor Hs Agonist Full agonist 6.3 pKi - 1
pKi 6.3 [1]
5-HT1B receptor Hs Agonist Full agonist 6.3 pKi - 1
pKi 6.3 [1]
5-HT1D receptor Hs Agonist Full agonist 6.2 pKi - 1
pKi 6.2 [1]
5-ht1e receptor Hs Agonist Full agonist 5.8 pKi - 1
pKi 5.8 [1]
5-HT2B receptor Hs Agonist Full agonist 5.8 pKi - 1
pKi 5.8 [1]
5-HT2C receptor Hs Agonist Full agonist 5.5 pKi - 1
pKi 5.5 [1]
5-HT2A receptor Hs Agonist Full agonist 5.4 pKi - 1
pKi 5.4 [1]
5-HT7 receptor Hs Agonist Full agonist 5.3 pKi - 1
pKi 5.3 [1]