LP-12   Click here for help

GtoPdb Ligand ID: 8434

Synonyms: compound 21 [PMID 17649988]
Compound class: Synthetic organic
Comment: LP-12 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 35.58
Molecular weight 481.31
XLogP 6.92
No. Lipinski's rules broken 1
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Canonical SMILES O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
Isomeric SMILES O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
InChI InChI=1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)
Bioactivity Comments
LP-12 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 9.9 pKi - 1
pKi 9.9 (Ki 1.3x10-10 M) [1]
5-HT1A receptor Hs Agonist Agonist 7.2 pKi - 1
pKi 7.2 (Ki 6.09x10-8 M) [1]
D2 receptor Hs Agonist Agonist 6.7 pKi - 1
pKi 6.7 (Ki 2.24x10-7 M) [1]
5-HT2A receptor Hs Agonist Agonist 5.8 pKi - 1
pKi 5.8 (Ki 1.464x10-6 M) [1]