isoflurane   

GtoPdb Ligand ID: 2505

Synonyms: Forane®
isoflurane is an approved drug (FDA (1979))
Comment: Isoflurane is an inhalation anaesthetic.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 9.23
Molecular weight 183.97
XLogP 2.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES FC(OC(C(F)(F)F)Cl)F
Isomeric SMILES FC(OC(C(F)(F)F)Cl)F
InChI InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChI Key PIWKPBJCKXDKJR-UHFFFAOYSA-N
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
K2P16.1 Hs Activator - - - 7x10-4 - 9x10-4 1
Conc range: 7x10-4 - 9x10-4 M [1]
TRPA1 Rn Activator Activation 3.7 pEC50 - 2
pEC50 3.7 [2]
Description: Patch clamp
Conditions: HEK293 cells expressing rat TRPA1
K2P3.1 Rn Activator Positive 2.7 pEC50 - 4
pEC50 2.7 [4]
K2P2.1 Hs Activator - - - - 3
studied at 1-5 mM [3]
Ligand mentioned in the following text fields