General
Preferred name
EMIXUSTAT
Synonyms
ACU-4429 hydrochloride ()
EMIXUSTAT HYDROCHLORIDE ()
ACU-4429 ()
Emixustat (hydrochloride) ()
ACU-4429 HYDROCHLORIDE ()
ACU-4429 HCL ()
ACU 4429 (hydrochloride) ()
P&D ID
PD058523
CAS
1141934-97-5
1141777-14-1
Tags
available
drug candidate
Drug indication
Proliferative diabetic retinopathy
Age-related macular degeneration
Drug Status
investigational
Max Phase
2.0
3.0
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
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
The hydrochloride salt form of Emixustat which could effectively inhibit the production of 11-cis-retinol which is related to age-related macular degeneration.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
10
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
263.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
1
cLogP
3.03
TPSA
55.48
Fraction CSP3
0.62
Chiral centers
1.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
11-cis-retinol
Member status
member
MOA
Retinoid Isomerohydrolase (RPE65) Inhibitors
retinoid isomerohydrolase inhibitor
Solubility
DMSO: > 44 mg/mL
Source data
