halothane   

GtoPdb Ligand ID: 2401

Synonyms: Fluothane®
halothane is an approved drug (FDA (1958))
Compound class: Synthetic organic
Comment: Halothane is a volatile anaesthetic which causes rapid anaesthesia, but requires use of additional nitrous oxide and/or neuromuscular blocking agents to be fully effective.
2D Structure
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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
SMILES / InChI / InChIKey
Canonical SMILES ClC(C(F)(F)F)Br
Isomeric SMILES ClC(C(F)(F)F)Br
InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChI Key BCQZXOMGPXTTIC-UHFFFAOYSA-N
Bioactivity Comments
Halothane potentiates human K2P9.1 (TASK-3) activity in vitro [6].[9].
Selectivity at ion channels
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Target Sp. Type Action Value Parameter 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 8,10
pEC50 3.0 (EC50 1x10-3 M) Conc range: 1x10-3 M studied at 1-10 mM [8,10]
Kir3.2 N/A Gating inhibitor Antagonist 4.2 pIC50 - 11
pIC50 4.2 [11]
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 - - - - 7
studied at 1-5 mM [7]
K2P3.1 Hs Activator - - - - 4
studied at 1-10 mM [4]
K2P9.1 Hs Activator - - - - 9
studied at 1-5 mM [9]
K2P10.1 Hs Activator - - - - 5
studied at 1-5 mM [5]
K2P12.1 Hs Inhibitor - - - - 1
[1]
K2P13.1 Hs Inhibitor - - - - 1
studied at ~5 mM [1]
Ligand mentioned in the following text fields