General
Preferred name
UPF-648
Synonyms
UPF-648 (sodium salt) ()
UPF 648 ()
UPF-648 sodium salt ()
P&D ID
PD016428
CAS
213400-34-1
1465017-87-1
Tags
available
drug candidate
Drug indication
Neurodegenerative disorder
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 Potent ROCK inhibitor; orally bioavailable (Tocris Bioactive Compound Library)
DESCRIPTION Potent and selective inhibitor of kynurenine-3-monooxygenase (KMO, or kynurenine hydroxylase) activity (IC50: 20 nM); Active (+)-(1S,2S)-enantiomer; Useful tool for research on cognitive enhancement and neuroprotection in the brain. (BOC Sciences Bioactive Compounds)
DESCRIPTION UPF-648 sodium salt is a potent kynurenine 3-monooxygenase (KMO) inhibitor; exhibits highly active at 1 uM (81 ± 10% KMO inhibition); ineffective at blocking KAT activity. (BOC Sciences Bioactive Compounds)
Compound Sets
7
Axon Medchem Screening Library
2118
BOC Sciences Bioactive Compounds
upf-648-cas-213400-34-1-item-84-463591
upf-648-sodium-salt-cas-1465017-87-1-item-84-463256
Cayman Chemical Bioactives
32860
DrugMAP
DMDVZQ8
MedChem Express Bioactive Compound Library
HY-15600
Other bioactive compounds
Tocris Bioactive Compound Library
4926
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
257.99
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
2.9
TPSA
54.37
Fraction CSP3
0.27
Chiral centers
2.0
Largest ring
6.0
QED
0.85
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Kynurenine 3-monooxygenase
MOA
Inhibitor
Target
Reactive Oxygen Species
KMO inhibitor
Aryl hydrocarbon receptor
Pathway
Metabolic Enzyme/Protease
NF-¦ÊB
Immunology/Inflammation
Source data