General
Preferred name
trichloroethanol
Synonyms
2,2,2-Trichloroethanol ()
TRICHLORETHANOL ()
P&D ID
PD050388
CAS
115-20-8
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 2,2,2-Trichloroethanol, the active form of Chloral hydrate, is an agonist for the nonclassical K2P channels TREK-1 (KCNK2) and TRAAK (KCNK4)[1].
PRICE 29
DESCRIPTION 2,2,2-Trichloroethanol, the active form of the sedative hypnotic drug chloral hydrate, is an agonist for the nonclassical K2P channels TREK-1 (KCNK2) and TRAAK (KCNK4). It activates a nonclassical potassium channel in cerebrovascular smooth muscle and dilates the middle cerebral artery [1]. [1]. Nikhil K Parelkar, et al. 2,2,2-trichloroethanol Activates a Nonclassical Potassium Channel in Cerebrovascular Smooth Muscle and Dilates the Middle Cerebral Artery. J Pharmacol Exp Ther. 2010 Mar;332(3):803-10. (TargetMol Bioactive Compound Library)
Compound Sets
5
DrugMAP
DMNALMF
Guide to Pharmacology
2293
MedChem Express Bioactive Compound Library
HY-B1500
Selleckchem Bioactive Compound Library
2-2-2-trichloroethanol
TargetMol Bioactive Compound Library
T37709
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
147.92
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
0
Aromatic Ring Count
0
cLogP
1.35
TPSA
20.23
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Human Endogenous Metabolite
TREK-1
Endogenous Metabolite
Potassium Channel
Pathway
Membrane Transporter/Ion Channel
Metabolism
Metabolic Enzyme/Protease
Source data