[3H]ZM 241385   Click here for help

GtoPdb Ligand ID: 455

Synonyms: [3H]-ZM241385
 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 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 127.39
Molecular weight 337.13
XLogP 1.56
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1
Isomeric SMILES c1([3H])cc(CCNc2nc(N)n3c(n2)nc(n3)c2ccco2)ccc1O
InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)/i5T
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A2A receptor Hs Antagonist Antagonist 8.7 – 9.1 pKd - 1,3
pKd 8.7 – 9.1 (Kd 1.8x10-9 – 8x10-10 M) [1,3]
A2B receptor Hs Antagonist Antagonist 6.5 – 7.9 pKd - 2,4-5
pKd 6.5 – 7.9 [2,4-5]
Ligand mentioned in the following text fields