[3H]DPCPX   Click here for help

GtoPdb Ligand ID: 406

Synonyms: [3H]-DPCPX
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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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 5
Topological polar surface area 72.68
Molecular weight 304.19
XLogP 4.69
No. Lipinski's rules broken 0
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Canonical SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1
Isomeric SMILES C([3H])CC(n1c2nc([nH]c2c(=O)n(c1=O)C(CC[3H])[3H])C1CCCC1)[3H]
InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)/i1T,2T,9T,10T
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A1 receptor Hs Antagonist Antagonist 8.4 – 9.2 pKd - 1-5,7
pKd 8.4 – 9.2 (Kd 1.2x10-9 – 6x10-10 M) [1-5,7]
A2B receptor Hs Antagonist Antagonist 7.4 pKd - 6
pKd 7.4 [6]
Ligand mentioned in the following text fields