halothane

Ligand id: 2401

Name: halothane

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 0
Molecular weight 195.89
XLogP 3.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Halothane potentiates human K2P9.1 (TASK-3) activity in vitro [5].[8].
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Kv2.1 Rn Channel blocker - 3.5 pEC50 - 3
pEC50 3.5 [3]
K2P3.1 Rn Activator Positive 3.0 pEC50 1x10-3 7,9
pEC50 3.0 (EC50 1x10-3 M) Conc range: 1x10-3 M studied at 1-10 mM [7,9]
Kir3.2 N/A Gating inhibitor Antagonist 4.2 pIC50 - 10
pIC50 4.2 [10]
Voltage: -70.0 mV
K2P5.1 Hs Activator - 3.7 pIC50 1x10-4 - 1x10-3 2
pIC50 3.7 Conc range: 1x10-4 - 1x10-3 M [2]
K2P2.1 Hs Activator - - - - 6
studied at 1-5 mM [6]
K2P3.1 Hs Activator - - - -
studied at 1-10 mM
K2P9.1 Hs Activator - - - - 8
studied at 1-5 mM [8]
K2P10.1 Hs Activator - - - - 4
studied at 1-5 mM [4]
K2P12.1 Hs Inhibitor - - - - 1
[1]
K2P13.1 Hs Inhibitor - - - - 1
studied at ~5 mM [1]
Ligand mentioned in the following text fields