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

1. Blin S, Chatelain FC, Feliciangeli S, Kang D, Lesage F, Bichet D. (2014)
Tandem pore domain halothane-inhibited K+ channel subunits THIK1 and THIK2 assemble and form active channels.
J. Biol. Chem., 289 (41): 28202-12. [PMID:25148687]
2. Gray AT, Zhao BB, Kindler CH, Winegar BD, Mazurek MJ, Xu J, Chavez RA, Forsayeth JR, Yost CS. (2000)
Volatile anesthetics activate the human tandem pore domain baseline K+ channel KCNK5.
Anesthesiology, 92 (6): 1722-30. [PMID:10839924]
3. Kulkarni RS, Zorn LJ, Anantharam V, Bayley H, Treistman SN. (1996)
Inhibitory effects of ketamine and halothane on recombinant potassium channels from mammalian brain.
Anesthesiology, 84 (4): 900-9. [PMID:8638845]
4. Lesage F, Terrenoire C, Romey G, Lazdunski M. (2000)
Human TREK2, a 2P domain mechano-sensitive K+ channel with multiple regulations by polyunsaturated fatty acids, lysophospholipids, and Gs, Gi, and Gq protein-coupled receptors.
J. Biol. Chem., 275 (37): 28398-405. [PMID:10880510]
5. Meadows HJ, Randall AD. (2001)
Functional characterisation of human TASK-3, an acid-sensitive two-pore domain potassium channel.
Neuropharmacology, 40 (4): 551-9. [PMID:11249964]
6. Patel AJ, HonorĂ© E, Lesage F, Fink M, Romey G, Lazdunski M. (1999)
Inhalational anesthetics activate two-pore-domain background K+ channels.
Nat. Neurosci., 2 (5): 422-6. [PMID:10321245]
7. Patel AJ, HonorĂ© E, Maingret F, Lesage F, Fink M, Duprat F, Lazdunski M. (1998)
A mammalian two pore domain mechano-gated S-like K+ channel.
EMBO J., 17 (15): 4283-90. [PMID:9687497]
8. Talley EM, Bayliss DA. (2002)
Modulation of TASK-1 (Kcnk3) and TASK-3 (Kcnk9) potassium channels: volatile anesthetics and neurotransmitters share a molecular site of action.
J. Biol. Chem., 277 (20): 17733-42. [PMID:11886861]
9. Washburn CP, Sirois JE, Talley EM, Guyenet PG, Bayliss DA. (2002)
Serotonergic raphe neurons express TASK channel transcripts and a TASK-like pH- and halothane-sensitive K+ conductance.
J. Neurosci., 22 (4): 1256-65. [PMID:11850453]
10. Weigl LG, Schreibmayer W. (2001)
G protein-gated inwardly rectifying potassium channels are targets for volatile anesthetics.
Mol. Pharmacol., 60 (2): 282-9. [PMID:11455015]