General
Preferred name
MRGPRX1 agonist 1
Synonyms
compound 16 [PMID: 31498617] ()
P&D ID
PD055112
CAS
2377379-39-8
Tags
available
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 MRGPRX1 agonist 1 is a highly potent agonist of MRGPRX1 (Mas-related G-protein-coupled receptor X1), with an EC50 of 50 nM, and is inactive on MRGPRC11. Analgesic effect[1].
PRICE 320
DESCRIPTION Compound 16 is reported as a novel, selective agonist of the class A orphan GPCR, MRGPRX1 . Compound 16 is extensively metabolised in mouse liver microsomes and this probably accounts for the short in vivo half-life (~20 m in) that was observed following intravenous administration in mice. (GtoPdb)
DESCRIPTION MRGPRX1 agonist 1 is a highly potent agonist of MRGPRX1 (Mas-related G-protein-coupled receptor X1) with an EC50 of 50 nM. (TargetMol Bioactive Compound Library)
Compound Sets
4
EUbOPEN Chemogenomics Library
EUB0002403
Guide to Pharmacology
10482
MedChem Express Bioactive Compound Library
HY-130118
TargetMol Bioactive Compound Library
T12104
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
435.13
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
4
cLogP
4.73
TPSA
103.54
Fraction CSP3
0.09
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
MRGPRX1
Mas-related G-protein-coupled Receptor (MRGPR)
Pathway
GPCR/G protein
Recommended Cell Concentration
None
Source data