General
Preferred name
XE991
Synonyms
XE 991 dihydrochloride ()
XE 991 ()
XE991 dihydrochloride ()
LS190926 dihydrochloride ()
XE 991 (hydrochloride) ()
P&D ID
PD016625
CAS
122955-13-9
122955-42-4
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 XE991 dihydrochloride, a Kv7 (KCNQ) channels blocker, potently inhibits Kv7.1 (KCNQ1), Kv7.2 (KCNQ2), Kv7.2 + Kv7.3 (KCNQ3) channel, and M-current with IC50s of 0.75 ¦ÌM, 0.71 ¦ÌM, 0.6 ¦ÌM, and 0.98 ¦ÌM, respectively[1].
PRICE 143
DESCRIPTION XE 991 dihydrochloride is a Kv7 (KCNQ) channel blocker. XE 991 dihydrochloride potently inhibits Kv7.1 (KCNQ1), Kv7.2 (KCNQ2), Kv7.2 + Kv7.3 (KCNQ3) channel, and M-current (IC50s: 0.75 ??M, 0.71 ??M, 0.6 ??M, and 0.98 ??M, respectively).
PRICE 126
DESCRIPTION CaV1.x blocker (Tocris Bioactive Compound Library)
DESCRIPTION Potent, selective KCNQ channel blocker; blocks M-current (Tocriscreen Total)
DESCRIPTION XE 991 dihydrochloride is a potent and selective blocker of KV7 (KCNQ) voltage-gated potassium channels. XE 991 blocks KV7.2+7.3 (KCNQ2+3) / M-currents (IC50 = 0.6 - 0.98 μM) and KV7.1 (KCNQ1) homomeric channels (IC50 = 0.75 μM) but is less potent against KV7.1/minK channels (IC50 = 11.1 μM). XE 991 increases hippocampal ACh release and enhances cognition following oral administration in vivo, suggesting to be beneficial for Alzheimer's disease therapy. (BOC Sciences Bioactive Compounds)
DESCRIPTION XE 991 dihydrochloride is a Kv7 (KCNQ) channel blocker. XE 991 dihydrochloride potently inhibits Kv7.1 (KCNQ1), Kv7.2 (KCNQ2), Kv7.2 + Kv7.3 (KCNQ3) channel, and M-current (IC50s: 0.75 μM, 0.71 μM, 0.6 μM, and 0.98 μM, respectively). (TargetMol Bioactive Compound Library)
DESCRIPTION XE 991 is a KCNQ channel and M-current blocker potentially for the treatment of AD. (BOC Sciences Bioactive Compounds)
DESCRIPTION XE991 is a novel and selective Kv7 (KCNQ) channel blocker.XE 991 dihydrochloride inhibits Kv7.1 (KCNQ1), Kv7.2 (KCNQ2), Kv7.2 + Kv7.3 (KCNQ3) channels, and M-current, and can be used for the study of neurological diseases. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
15
Axon Medchem Screening Library
1305
1987
BOC Sciences Bioactive Compounds
xe-991-dihydrochloride-cas-122955-13-9-item-170423
xe-991-cas-122955-42-4-360322
Cayman Chemical Bioactives
14582
Concise Guide to Pharmacology 2017/18
2596
Concise Guide to Pharmacology 2019/20
2596
Concise Guide to Pharmacology 2021/22
2596
Concise Guide to Pharmacology 2023/24
2596
Drug Repurposing Hub
DrugMAP
DMLH1PK
Guide to Pharmacology
2596
MedChem Express Bioactive Compound Library
HY-108577
HY-108577A
Selleckchem Bioactive Compound Library
xe991-dihydrochloride
TargetMol Bioactive Compound Library
T17262
T78570
Tocris Bioactive Compound Library
2000
Tocriscreen Total
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
376.16
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
4
cLogP
4.79
TPSA
42.85
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Kv7.1
Kv7.2
Kv7.2 (KCNQ2) channels
Kv7.2 + Kv7.3 channel
M-current
Potassium Channel
KCNQ1, KCNQ2, KCNQ3, KCNQ4, KCNQ5
KCNQ blocker
Primary Target
Voltage-gated Potassium (KV) Channels
MOA
Blocker
potassium channel blocker
Pathway
Membrane Transporter/Ion Channel
Source data