General
Preferred name
ASIMADOLINE
Synonyms
EMD-61753 hydrochloride ()
Asimadoline (hydrochloride) ()
EMD-61753 (hydrochloride) ()
ASIMADOLINE HYDROCHLORIDE ()
Asimadolina ()
EMD-61753 ()
P&D ID
PD008651
CAS
153205-46-0
185951-07-9
Tags
available
drug candidate
Drug indication
Irritable bowel syndrome
Pruritus
Diarrhea-predominant irritable bowel syndrome
Drug Status
investigational
Max Phase
3.0
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 Asimadoline is an orally active, selective kappa-opioid receptor agonist. It exhibits little blood-brain barrier penetrance so is considered peripherally acting. Asimadoline has demonstrated efficacy in several preclinical pruritus models, and has been investigated as a therapy for irritable bowel syndrome. (GtoPdb)
DESCRIPTION Asimadoline (EMD-61753) hydrochloride is an orally active, selective and peripherally active ¦Ê-opioid agonist with IC50s of 5.6 nM (guinea pig) and 1.2 nM (human recombinant). Asimadoline hydrochloride has low permeability across the blood brain barrier and has peripheral anti-inflammatory actions. Asimadoline hydrochloride ameliorates allodynia in diabetic rats and has the potential for irritable bowel syndrome (IBS)[1][2][3].
PRICE 103
DESCRIPTION Asimadoline hydrochloride (EMD-61753 hydrochloride) is a ??-opioid receptor agonist potentially for the treatment of pruritus. Asimadoline hydrochloride has also been shown to be used in the treatment of irritable bowel syndrome.
DESCRIPTION Asimadoline hydrochloride (EMD-61753 hydrochloride) is a κ-opioid receptor agonist potentially for the treatment of pruritus. Asimadoline hydrochloride has also been shown to be used in the treatment of irritable bowel syndrome. (TargetMol Bioactive Compound Library)
Compound Sets
14
AdooQ Bioactive Compound Library
A16920
Cayman Chemical Bioactives
26411
ChEMBL Drugs
CHEMBL1190199
Drug Repurposing Hub
DrugBank
DB05104
DrugMAP
DMND3AB
Guide to Pharmacology
9279
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1190199
Mcule NIBR MoA Box Subset
MCULE-3808088772
MedChem Express Bioactive Compound Library
HY-107384A
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
asimadoline
TargetMol Bioactive Compound Library
T4691
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
414.23
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
4.08
TPSA
43.78
Fraction CSP3
0.3
Chiral centers
2.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Opioid Receptor
κ-opioid receptor
¦Ê-opioid receptor
OPRK1
MOA
opioid receptor
kappa-Opioid Agonists
Opioid Receptor agonist
Member status
member
Pathway
GPCR/G protein
Neuronal Signaling
Endocrinology/Hormones
Neuroscience
Source data