LP-44   Click here for help

GtoPdb Ligand ID: 8435

Synonyms: compound 5 [PMID 17649988]
Compound class: Synthetic organic
Comment: LP-44 is a selective serotonin 5-HT7 receptor agonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 60.88
Molecular weight 451.27
XLogP 5.73
No. Lipinski's rules broken 1
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Canonical SMILES CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2
Isomeric SMILES CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2
InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
Bioactivity Comments
LP-44 exhibits selectivity over 5-HT1A, 5-HT2A, and dopamine D2 receptors [1].
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT7 receptor Primary target of this compound Hs Agonist Agonist 9.7 pKi - 1
pKi 9.7 (Ki 2.2x10-10 M) [1]
D2 receptor Hs Agonist Agonist 8.1 pKi - 1
pKi 8.1 (Ki 7.3x10-9 M) [1]
5-HT1A receptor Hs Agonist Agonist 7.3 pKi - 1
pKi 7.3 (Ki 5.27x10-8 M) [1]
5-HT2A receptor Hs Agonist Agonist 6.5 pKi - 1
pKi 6.5 (Ki 3.26x10-7 M) [1]