Halothane

Summary

Halothane (CHEMBL931) is an approved small-molecule inhalation anaesthetic (ATC N01AB01) targeting KCNJ6, TRPM3, and KCNK2.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: N01AB01
• Targets: 10 (KCNJ6, TRPM3, KCNK2…)
• Clinical trials: 1
• Chemistry: 197.38 Da · C2HBrClF3

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL931
Name	Halothane
Type	Small molecule
Max phase	4
FDA approved	no
PubChem CID	3562
ChEBI	CHEBI:5615
ATC	N01AB01
Molecular formula	C2HBrClF3
Molecular weight	197.38
InChIKey	BCQZXOMGPXTTIC-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(Cl)Br

IUPAC name: 2-bromo-2-chloro-1,1,1-trifluoroethane

ChEBI definition: A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position.

Pharmacological roles (ChEBI): inhalation anaesthetic.

Also known as: Fluothane, FREON 123B1, Halotano, Halothane, Halothanum, NSC-143490, Rhidialothan, Halotane, SID17388981, HALOTHANE, halothane, SID144208048

Parent form; salt/anhydrous children: CHEMBL3250431, CHEMBL5418247

Patent coverage: 9,215 distinct patent families (28,738 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 27,939 (97%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

Gene	Target	Action	pAffinity	Cancer dependency	UniProt
KCNJ6	Kir3.2	Antagonist	4.2	0.1%	P48051
TRPM3	TRPM3	Antagonist	3.28	0.1%	Q9HCF6
KCNK2	K2P2.1			0.2%	O95069
KCNK3	K2P3.1			0%	O14649
KCNK5	K2P5.1		3.7	0.7%	O95279
KCNK9	K2P9.1			0.2%	Q9NPC2
KCNK10	K2P10.1			0%	P57789
KCNK12	K2P12.1			1.9%	Q9HB15
KCNK13	K2P13.1			0.8%	Q9HB14
KCNB1	Kv2.1		3.5	0%	Q14721

Broader ChEMBL bioactivity targets: 3 (assay-derived). Sample: Cruzipain, Aldehyde dehydrogenase 1A1, 3-hydroxyacyl-CoA dehydrogenase type-2.

Bioactivity

No ChEMBL bioactivity rows at pChembl ≥ 5 (expected for biologics / antibodies).

Target pathways

Aggregated over 10 target gene(s): KCNJ6, TRPM3, KCNK2, KCNK3, KCNK5, KCNK9, KCNK10, KCNK12, KCNK13, KCNB1.

Top Reactome pathways

24 total, by targets touching each:

Pathway	Targets	Genes
Neuronal System	7	KCNB1, KCNJ6, KCNK10, KCNK13, KCNK2, KCNK3, KCNK9
Potassium Channels	7	KCNB1, KCNJ6, KCNK10, KCNK13, KCNK2, KCNK3, KCNK9
Muscle contraction	7	KCNK10, KCNK12, KCNK13, KCNK2, KCNK3, KCNK5, KCNK9
Phase 4 - resting membrane potential	7	KCNK10, KCNK12, KCNK13, KCNK2, KCNK3, KCNK5, KCNK9
Cardiac conduction	7	KCNK10, KCNK12, KCNK13, KCNK2, KCNK3, KCNK5, KCNK9
Tandem pore domain potassium channels	5	KCNK10, KCNK13, KCNK2, KCNK3, KCNK9
TWIK-releated acid-sensitive K+ channel (TASK)	2	KCNK3, KCNK9
TWIK related potassium channel (TREK)	2	KCNK10, KCNK2
Neurotransmitter receptors and postsynaptic signal transmission	1	KCNJ6
Transmission across Chemical Synapses	1	KCNJ6
Activation of G protein gated Potassium channels	1	KCNJ6
G protein gated Potassium channels	1	KCNJ6
Inwardly rectifying K+ channels	1	KCNJ6
Voltage gated Potassium channels	1	KCNB1
Tandem pore domain halothane-inhibited K+ channel (THIK)	1	KCNK13
Metabolism	1	KCNB1
Integration of energy metabolism	1	KCNB1
TRP channels	1	TRPM3
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion	1	KCNB1
Regulation of insulin secretion	1	KCNB1
GABA receptor activation	1	KCNJ6
GABA B receptor activation	1	KCNJ6
Activation of GABAB receptors	1	KCNJ6
Inhibition of voltage gated Ca2+ channels via Gbeta/gamma subunits	1	KCNJ6

Dominant GO biological processes

GO term	Targets
monoatomic ion transport	10
monoatomic ion transmembrane transport	10
potassium ion transport	9
potassium ion transmembrane transport	8
regulation of resting membrane potential	4
potassium ion import across plasma membrane	3
transmembrane transport	2
response to axon injury	2
cellular response to hypoxia	2
cochlea development	2
cellular response to arachidonate	2
cellular response to acidic pH	2
regulation of action potential firing rate	2
sodium ion transport	2
sodium ion transmembrane transport	2

Indications & clinical

Indications

0 indications (0 at ChEMBL trial phase 4).

Clinical trials

Total trials: 1.

Phase distribution

Phase	Trials
Not specified	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT00815269	Not specified	COMPLETED	Vasodilation Effect of Inhalational Anesthetics

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

PharmGKB dosing guidelines (1) — CPIC / DPWG genotype-guided dosing for this drug (drug × pharmacogene):

Guideline	Source	Gene(s)	Dosing	Recommendation
Annotation of CPIC Guideline for desflurane, enflurane, halothane, iso	CPIC	CACNA1S;RYR1		yes

PharmGKB also curates 47 clinical and 61 variant annotation(s) for this drug (gene-keyed; see PharmGKB).

Related molecules

Related molecules

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

47 molecules share ≥1 primary target. Top 47 by shared-target count:

Molecule	Source	Status	Shared targets
Quinine	PubChem	Approved	KCNK2, KCNK3, KCNK9
CARVEDILOL	ChEMBL + PubChem	Phase 4 (approved)	KCNK10, KCNK2
FLUOXETINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2, KCNK9
MEXILETINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2, KCNK3
PROPAFENONE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2, KCNK3
BAFREKALANT	ChEMBL	Phase 2	KCNK3, KCNK9
glyburide	PubChem	Approved	KCNK2, KCNK9
Isoflurane	PubChem	Approved	KCNK2, KCNK3
Lidocaine	PubChem	Approved	KCNK2, KCNK3
Mefenamic Acid	PubChem	Approved	KCNK2, TRPM3
AMLODIPINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2
CHLORPROMAZINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2
FLUPHENAZINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2
HALOPERIDOL	ChEMBL + PubChem	Phase 4 (approved)	KCNK2
LORATADINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK9
LOXAPINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2
NIFEDIPINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2
PIMOZIDE	ChEMBL + PubChem	Phase 4 (approved)	KCNK2
ROPIVACAINE	ChEMBL + PubChem	Phase 4 (approved)	KCNK3
BEPRIDIL	ChEMBL	Phase 4 (approved)	KCNK2
BUPIVACAINE	ChEMBL	Phase 4 (approved)	KCNK3
ETIDOCAINE	ChEMBL	Phase 4 (approved)	KCNK3
MIBEFRADIL	ChEMBL	Phase 4 (approved)	KCNK9
FLUPENTIXOL	ChEMBL	Phase 3	KCNK2
CLOROTEPINE	ChEMBL	Phase 2	KCNK9
FLUFENAMIC ACID	ChEMBL	Phase 2	KCNK2
SIPATRIGINE	ChEMBL	Phase 2	KCNK2
alfaxalone	PubChem	Approved	KCNK9
Caffeine	PubChem	Approved	KCNK2
Cesium Chloride	PubChem	Approved	KCNK9
Chloroform	PubChem	Approved	KCNK2
dalfampridine	PubChem	Approved	KCNK2
Diclofenac	PubChem	Approved	KCNK2
Doconexent	PubChem	Approved	KCNK10
ether	PubChem	Approved	KCNK3
Haloperidol Decanoate	PubChem	Approved	KCNK2
Indomethacin	PubChem	Approved	KCNK2
Ketamine	PubChem	Approved	KCNK9
Mepivacaine	PubChem	Approved	KCNK3
Pentobarbital	PubChem	Approved	KCNK9
Pioglitazone	PubChem	Approved	TRPM3
Quinidine	PubChem	Approved	KCNK9
Riluzole	PubChem	Approved	KCNK2
Rosiglitazone	PubChem	Approved	TRPM3
Terbinafine	PubChem	Approved	KCNK9
Tetracaine	PubChem	Approved	KCNK3
theophylline	PubChem	Approved	KCNK2