DPCPX   

GtoPdb Ligand ID: 386

Synonyms: 1,3-DPCPX | 8-cyclopentyl-1,3-dipropylxanthine | GNF-Pf-2224
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
Canonical SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1
Isomeric SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1
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)
InChI Key FFBDFADSZUINTG-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
A1 receptor Rn Antagonist Antagonist 9.0 – 9.7 pKi - 8,10,20
pKi 9.0 – 9.7 (Ki 1x10-9 – 1.8x10-10 M) [8,10,20]
A1 receptor Hs Antagonist Antagonist 7.4 – 9.2 pKi - 3,7,13,16,20
pKi 7.4 – 9.2 (Ki 3.98x10-8 – 6.3x10-10 M) [3,7,13,16,20]
A2B receptor Hs Antagonist Antagonist 6.9 – 7.3 pKi - 8,13,18,20
pKi 6.9 – 7.3 [8,13,18,20]
A2B receptor Mm Antagonist Antagonist 7.1 pKi - 2
pKi 7.1 (Ki 8.62x10-8 M) [2]
A2A receptor Hs Antagonist Antagonist 6.6 – 7.2 pKi - 4,9,11,15,20
pKi 6.6 – 7.2 [4,9,11,15,20]
A2B receptor Rn Antagonist Antagonist 6.7 – 6.7 pKi - 5,8
pKi 6.7 – 6.7 (Ki 2x10-7 – 1.86x10-7 M) [5,8]
A2A receptor Rn Antagonist Antagonist 6.3 – 6.8 pKi - 8,12
pKi 6.3 – 6.8 (Ki 5x10-7 – 1.57x10-7 M) [8,12]
A3 receptor Hs Antagonist Antagonist 5.4 – 6.6 pKi - 1,6,9,17,19-20
pKi 5.4 – 6.6 (Ki 3.96x10-6 – 2.43x10-7 M) [1,6,9,17,19-20]
A3 receptor Rn Antagonist Antagonist 4.4 – 7.6 pKi - 1,14,20
pKi 4.4 – 7.6 [1,14,20]
Ligand mentioned in the following text fields