CGS 15943   

GtoPdb Ligand ID: 384

Synonyms: CGS 15943A | CGS-15943 | CGS15943
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 82.24
Molecular weight 285.04
XLogP 2.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1
Isomeric SMILES Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1
InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
InChI Key MSJODEOZODDVGW-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
A2B receptor Hs Antagonist Antagonist 7.8 pA2 - 1
pA2 7.8 [1]
A2A receptor Hs Antagonist Antagonist 7.7 – 9.4 pKi - 3,6,8,10
pKi 7.7 – 9.4 [3,6,8,10]
A1 receptor Hs Antagonist Antagonist 8.5 pKi - 10
pKi 8.5 (Ki 3.5x10-9 M) [10]
A1 receptor Rn Antagonist Antagonist 8.2 pKi - 9
pKi 8.2 (Ki 6.4x10-9 M) [9]
A2B receptor Mm Antagonist Antagonist 8.0 pKi - 2
pKi 8.0 (Ki 9.07x10-9 M) [2]
A3 receptor Hs Antagonist Antagonist 7.0 – 7.9 pKi - 7-8,10,12
pKi 7.0 – 7.9 [7-8,10,12]
A2B receptor Hs Antagonist Antagonist 6.0 – 8.1 pKi - 2,4-5,8,10-11
pKi 6.0 – 8.1 [2,4-5,8,10-11]