General
Preferred name
MRS1191
Synonyms
MRS-1191 ()
P&D ID
PD040955
CAS
185222-90-6
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 MRS-1191 is a potent and selective A3 adenosine receptor antagonist with a KB value of 92 nM, a Ki value of 31.4 nM for human A3 receptor and an IC50 of 120 nM for CHO cells[1]. MRS-1191 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Compound Sets
8
Concise Guide to Pharmacology 2017/18
470
Concise Guide to Pharmacology 2019/20
470
Concise Guide to Pharmacology 2021/22
470
Concise Guide to Pharmacology 2023/24
470
DrugMAP
DM9WX3C
Guide to Pharmacology
470
Ki Database
MRS1191
MedChem Express Bioactive Compound Library
HY-124543
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
477.19
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
5.25
TPSA
64.63
Fraction CSP3
0.16
Chiral centers
1.0
Largest ring
6.0
QED
0.39
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Adenosine Receptor
Pathway
GPCR/G protein
Source data