General
Preferred name
AMODIAQUINE HYDROCHLORIDE
Synonyms
Amodiaquine (dihydrochloride) ()
Amodiaquin (dihydrochloride) ()
P&D ID
PD088184
CAS
69-44-3
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
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[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Amodiaquine dihydrochloride (Amodiaquin dihydrochloride), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor with a Ki of 18.6 nM. Amodiaquine dihydrochloride is also a Nurr1 agonist and specifically binds to Nurr1-LBD (ligand binding domain) with an EC50 of ~20 ¦ÌM. Anti-inflammatory effect[1][2][3][4][5].
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Cell lines
0
Organisms
1
Compound Sets
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Molecular Weight
427.1
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
3
cLogP
6.02
TPSA
48.39
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Epigenetics
Vitamin D Related/Nuclear Receptor
Target
Immunology & Inflammation related
Histone methyltransferase
Nuclear Hormone Receptor 4A/NR4A
Parasite
Source data
