General
Preferred name
Devimistat
Synonyms
CPI-613 ()
CPI613 ()
CPI 613 ()
6,8-Bis(benzylthio)octanoic acid ()
AML therapy, Cornerstone Pharmaceuticals ()
Devimistat (CPI-613) ()
P&D ID
PD010579
CAS
95809-78-2
Tags
available
drug candidate
Drug indication
B-cell lymphoma
Acute myeloid leukaemia
Myelodysplastic syndrome
Pancreatic cancer
Metastatic colorectal cancer
Recurrent adult burkitt lymphoma
T-cell lymphoma
Drug Status
investigational
Max Phase
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
Devimistat (CPI-613) is a mitochondrial metabolism inhibitor. Devimistat is a lipoic acid antagonist that abrogates mitochondrial energy metabolism to induce apoptosis in various cancer cells[1].
PRICE
59
DESCRIPTION
Devimistat (6,8-Bis(benzylthio)octanoic acid) , a lipoate analog, inhibits mitochondrial enzymes pyruvate dehydrogenase (PDH) and ??-ketoglutarate dehydrogenase, disrupts tumor cell mitochondrial metabolism. It has potential chemopreventive and antineoplastic activities, and has been used in trials studying the treatment of Cancer, Lymphoma, Solid Tumors, Advanced Cancer, and Pancreatic Cancer, among others.
DESCRIPTION
Devimistat (6,8-Bis(benzylthio)octanoic acid) , a lipoate analog, inhibits mitochondrial enzymes pyruvate dehydrogenase (PDH) and α-ketoglutarate dehydrogenase, disrupts tumor cell mitochondrial metabolism. It has potential chemopreventive and antineoplastic activities, and has been used in trials studying the treatment of Cancer, Lymphoma, Solid Tumors, Advanced Cancer, and Pancreatic Cancer, among others.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Selective and potent c-MET kinase inhibitor
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
388.15
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
13
Ring Count
2
Aromatic Ring Count
2
cLogP
6.26
TPSA
37.3
Fraction CSP3
0.41
Chiral centers
1.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
Mitochondrial Metabolism
PDH
α-ketoglutarate dehydrogenase
PDH inhibitor
Apoptosis related,Dehydrogenase
Primary Target
Other Dehydrogenases
MOA
Inhibitor
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data
