General
Preferred name
ML359
Synonyms
ML335 Analog ()
ML-359 ()
ML 359 ()
P&D ID
PD015825
CAS
1069858-99-6
Tags
available
probe
Probe info
Probe type
experimental probe
Probe selectivity
protein-selective
Probe sources
MLP Probes
Probe targets
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 ML359 is a potent, selctive and reversible inhibitor of protein disulfide isomerase (PDI), with an IC50 of 250 nM. ML359 can prevent thrombus formation in vivo[1][2].
PRICE 287
DESCRIPTION ML359 is a protein disulfide isomerase inhibitor. (TargetMol Bioactive Compound Library)
Compound Sets
6
MedChem Express Bioactive Compound Library
HY-114086
MLP Probes
NBK189925
MLSMR Probes +
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
ml359
TargetMol Bioactive Compound Library
T25821
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
417.17
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
2
cLogP
4.66
TPSA
59.0
Fraction CSP3
0.43
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Classification
probe analog
Probe
Target
PDI
Protein Disulfide Isomerase (PDI)
Antitarget
Erp5, Thioredoxin, Thioredoxin reductase
Member status
member
MOA
Protein disulfide isomerase A2 inhibitor
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Source data