L-772,405   Click here for help

GtoPdb Ligand ID: 16

Synonyms: L 772405 | L-772405
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 9
Topological polar surface area 81.48
Molecular weight 462.25
XLogP 4.72
No. Lipinski's rules broken 0
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Canonical SMILES OCC(c1ccc(cc1)F)NC1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1
Isomeric SMILES OC[C@@H](c1ccc(cc1)F)NC1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1
InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1D receptor Hs Antagonist Antagonist 9.0 pIC50 - 1
pIC50 9.0 [1]
5-HT1A receptor Hs Agonist Full agonist 7.2 pIC50 - 1
pIC50 7.2 [1]
5-HT1B receptor Hs Agonist Full agonist 6.8 pIC50 - 1
pIC50 6.8 [1]