General
Preferred name
MDA 19
Synonyms
P&D ID
PD012581
CAS
1048973-47-2
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 MDA 19 is a potent and selective agonist of human cannabinoid receptor 2 (CB2), with a Ki of 43.3 nM. MDA 19 has antiallodynic effects in a rat model of neuropathic pain and does not affect rat locomotor activity[1][2].
Compound Sets
3
AdooQ Bioactive Compound Library
A11939
Cayman Chemical Bioactives
10563
MedChem Express Bioactive Compound Library
HY-15451
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
349.18
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
2
cLogP
3.75
TPSA
61.77
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
1
imine_one_isatin(189)
[#8]=[#6]-2-[#6](=!@[#7]-[#7])-c:1:c:c:c:c:c:1-[#7]-2
PAINS Family A
Custom attributes
(extracted from source data)
Target
Cannabinoid Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Source data