General
Preferred name
ICI-199441
Synonyms
ICI 199,441 hydrochloride ()
ICI-199,441 hydrochloride ()
GR-199 ()
441 ()
ICI 199441 ()
ICI-199,441 ()
P&D ID
PD071365
CAS
115199-84-3
116508-24-8
Tags
available
drug candidate
probe
Drug indication
Discovery agent
Probe info
Probe type
experimental probe
P&D approved
Probe selectivity
protein-selective
Probe sources
Chemical Probes.org
High-quality chemical probes
Probe targets
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 ICI 199441 is a potent and selective ¦Ê-opioid receptor agonist. ICI 199441 can improve heart resistance to ischemia/reperfusion[1].
PRICE 65
DESCRIPTION ICI 199,441 hydrochloride is a potent, selective agonist of ??-opioid receptor.
COMMENT Opioid agonist signalling is complex and context dependent. This makes probe definitions complicated. This compound is a very potent kappa opioid agonist with opioid receptor subtype selectivity in some contexts. Two extra papers added here demonstrate that at least this compound has been well annotated and compared with other compounds and can thus guide use. One hesitation for calling this a probe is the lack of broad profiling across other targets. May 19 2020 - 11:18am; Recommended dose for in vivo studies is high when considered in light of the high potency in cell-based assays and the Ki. As a result interpretation of a target specific role in any biological impact of the probe in vivo at this dose should be made with caution and careful consideration of the potential for other targets to contribute to the biological effect. Nov 16 2020 - 9:20pm
DESCRIPTION ICI-199441 is a κ opioid receptor agonist . (GtoPdb)
MOA Agonist (Chemical Probes.org)
DESCRIPTION Potent κ agonist (Tocriscreen Total)
DESCRIPTION Potent kappa agonist (Tocriscreen Plus)
DESCRIPTION Potent, selective H3 antagonist (Tocris Bioactive Compound Library)
DESCRIPTION ICI 199,441 hydrochloride is the hydrochloride salt of ICI 199,441, which is a selective and highly potent κ agonist. It is 146-fold more active than U-50488 in vitro. It has a broad range of effects on the immune system ranging from inflammatory response modulation to opioid and chemokine receptor expression. It has analgesic properties. (BOC Sciences Bioactive Compounds)
DESCRIPTION ICI 199,441 hydrochloride is a potent, selective agonist of κ-opioid receptor. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
2
Compound Sets
12
BOC Sciences Bioactive Compounds
ici-199-441-hydrochloride-cas-115199-84-3-item-70910
Chemical Probes.org
ici-199441
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
DMEWZ80
Guide to Pharmacology
11691
High-quality chemical probes
PD071365
MedChem Express Bioactive Compound Library
HY-101205
TargetMol Bioactive Compound Library
T22849
Tocris Bioactive Compound Library
0778
Tocriscreen Plus
0778
Tocriscreen Total
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
390.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
4.83
TPSA
23.55
Fraction CSP3
0.38
Chiral centers
1.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Target
κ-opioid receptor
CYP2D6, OPRD1, OPRK1, OPRM1, UTS2R
OPRK1
Opioid Receptor
Primary Target
? Opioid Receptors
MOA
Agonist
Opioid Receptor agonist
Orthogonal probe
Salvinorin A
Pathway
GPCR/G protein
Neuronal Signaling
Endocrinology/Hormones
Neuroscience
Target class
GPCR
Target subclass
Opioid receptors
Source data