thiothixene

Ligand id: 212

Name: thiothixene

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 77.54
Molecular weight 443.17
XLogP 3.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H1 receptor Hs Antagonist Antagonist 8.4 pKi - 1
pKi 8.4 [1]
5-HT2A receptor Hs Antagonist Antagonist 7.3 pKi - 1
pKi 7.3 [1]