tubocurarine

Ligand id: 2294

Name: tubocurarine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 80.62
Molecular weight 609.3
XLogP 4.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Due to the complex and varied nature of the precise subunit composition of nACh channels, and a paucity of affinity data with definitive molecular details, we have not tagged a primary target for this drug.
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Organic cation transporter 2 4
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT3A Antagonist Antagonist 4.8 pKi - 2,5
pKi 4.8 [2,5]
5-HT3AB Antagonist Antagonist 4.5 pKi - 2
pKi 4.5 [2]
KCa2.2 Channel blocker Antagonist 5.7 pIC50 - 7
pIC50 5.7 [7]
ZAC Antagonist Antagonist 5.2 pIC50 - 3
pIC50 5.2 (IC50 6.3x10-6 M) [3]
KCa2.1 Channel blocker Antagonist 4.1 – 4.6 pIC50 - 8-10
pIC50 4.1 – 4.6 (IC50 8x10-5 – 2.5x10-5 M) [8-10]
Voltage: -100.0 – 80.0 mV
KCa2.3 Channel blocker Antagonist 3.7 – 4.5 pIC50 - 11,13
pIC50 3.7 – 4.5 [11,13]
Selectivity at mouse ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT3A Antagonist Antagonist 6.6 – 7.1 pKi - 1,14
pKi 6.6 – 7.1 [1,14]
Selectivity at rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
KCa2.2 Channel blocker Antagonist 4.8 – 5.6 pIC50 - 6,8,10
pIC50 4.8 – 5.6 [6,8,10]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields