Ligand id: 8766

Name: JNJ-63533054

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 58.2
Molecular weight 316.1
XLogP 3.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
In vivo activity is reported by Shoblock et al. (2019), but these studies failed to clarify the physiological function of GPR139 [4].
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR139 Hs Agonist Agonist 7.6 pKi - 3
pKi 7.6 (Ki 2.4x10-8 M) [3]