General
Preferred name
UBENIMEX
Synonyms
BESTATIN HYDROCHLORIDE ()
bestatin ()
Ubenimex trifluoroacetate ()
Bestatin (trifluoroacetate) ()
Ubenimex hydrochloride ()
BESTATIN58970-76-6 ()
Bestatin (hydrochloride) ()
Bestatin trifluoroacetate ()
Bestatin (NK421) ()
Ubenimex,NK421 ()
NSC-265489 ()
NK-421 ()
(-)-bestatin ()
Bestatin ()
P&D ID
PD003128
CAS
65391-42-6
58970-76-6
100992-60-7
223763-80-2
Tags
available
drug
Drug indication
Acute myeloid leukaemia
Drug Status
approved
investigational
Max Phase
2.0
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
Potent, selective p38 MAPK inhibitor; orally active
(Tocris Bioactive Compound Library)
DESCRIPTION
Aminopeptidase inhibitor
(Tocriscreen Total)
DESCRIPTION
Aminopeptidase inhibitor
(LOPAC library)
DESCRIPTION
Bestatin, also known as Ubenimex (INN), is a competitive protease inhibitor. It is an inhibitor of aminopeptidase B, leukotriene A4 hydrolase, aminopeptidase N. It is being studied for use in the treatment of acute myelocytic leukemia.
Bestatin can be administered, with low toxicity, to cultured cells, intact animals and humans. It has become a useful tool in elucidating the physiological role of some mammalian exopeptidases in the regulation of the immune system, in the growth of tumors and their invasion of surrounding tissues, and in the degradation of cellular proteins. (BOC Sciences Bioactive Compounds)
Bestatin can be administered, with low toxicity, to cultured cells, intact animals and humans. It has become a useful tool in elucidating the physiological role of some mammalian exopeptidases in the regulation of the immune system, in the growth of tumors and their invasion of surrounding tissues, and in the degradation of cellular proteins. (BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
8
Organisms
1
Compound Sets
23
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Total
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
57
Molecular Weight
308.17
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
1
cLogP
0.53
TPSA
112.65
Fraction CSP3
0.5
Chiral centers
3.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Aminopeptidase
Pathway
Metabolic Enzyme/Protease
Cytoskeletal Signaling
Metabolism
Immunology/Inflammation
Anti-infection
Target
CD13
LTA(4)H-h
APN
LTA4H, RNPEP
antibiotic
Bacterial
Immunology & Inflammation related
Primary Target
Aminopeptidases
MOA
LTR inhibitor
Others inhibitor
Inhibitor
Leukotriene A4 Hydrolase Inhibitors
Membrane Alanine Aminopeptidase (Aminopeptidase N) Inhibitors
leukotriene synthesis inhibitor
Member status
member
Indication
acute myeloid leukemia (AML)
Source data
