meclinertant

Ligand id: 1582

Name: meclinertant

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 115.05
Molecular weight 586.2
XLogP 3.72
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
NTS1 receptor Hs Antagonist Antagonist 8.4 pKi - 5
pKi 8.4 [5]
NTS1 receptor Rn Antagonist Antagonist 8.0 – 8.6 pKi - 3-4
pKi 8.0 – 8.6 [3-4]
NTS2 receptor Hs Agonist Full agonist 6.4 pKi - 5
pKi 6.4 [5]
NTS1 receptor Hs Antagonist Antagonist 7.5 – 8.2 pIC50 - 2
pIC50 7.5 – 8.2 (IC50 3.16x10-8 – 6.31x10-9 M) [2]
NTS2 receptor Mm Agonist Full agonist 7.1 pIC50 - 1
pIC50 7.1 [1]
Ligand mentioned in the following text fields