DR-4004   Click here for help

GtoPdb Ligand ID: 8431

Synonyms: compound 7 [PMID 10052959]
Compound class: Synthetic organic
Comment: DR-4004 is a selective antagonist of the serotonin 5-HT7 receptor [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.34
Molecular weight 386.24
XLogP 4.88
No. Lipinski's rules broken 0
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Canonical SMILES O=C1Nc2c3C1(CCCCN1CCC(=CC1)c1ccccc1)CCCc3ccc2
Isomeric SMILES O=C1Nc2c3C1(CCCCN1CCC(=CC1)c1ccccc1)CCCc3ccc2
InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
Bioactivity Comments
pKi for rat cortical 5-HT2 receptors is 7.01 [2].
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 Antagonist Antagonist 8.7 pKi - 1-2
pKi 8.7 (Ki 2x10-9 M) [1-2]