ubenimex Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
immunostimulants 2787 58970-76-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ubenimex
  • bestatin
growth inhibitor; RN given refers to ((L-Leu)-(S-(R*,S*)))-isomer; structure
  • Molecular weight: 308.38
  • Formula: C16H24N2O4
  • CLOGP: -0.31
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 4
  • TPSA: 112.65
  • ALOGS: -2.38
  • ROTB: 8

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000276 Adjuvants, Immunologic
MeSH PA D000900 Anti-Bacterial Agents
MeSH PA D019380 Anti-HIV Agents
MeSH PA D000890 Anti-Infective Agents
MeSH PA D044966 Anti-Retroviral Agents
MeSH PA D000903 Antibiotics, Antineoplastic
MeSH PA D000970 Antineoplastic Agents
MeSH PA D000998 Antiviral Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D007155 Immunologic Factors
MeSH PA D011480 Protease Inhibitors

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.42 acidic
pKa2 10.69 acidic
pKa3 13.63 acidic
pKa4 7.98 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Cytosol aminopeptidase Enzyme Ki 9.22 CHEMBL
72 kDa type IV collagenase Enzyme IC50 5.47 CHEMBL
Leukotriene A-4 hydrolase Enzyme IC50 6.30 CHEMBL
Aminopeptidase N Enzyme IC50 5.62 CHEMBL
Aminopeptidase N Enzyme Ki 5.52 CHEMBL
Aminopeptidase N Unclassified IC50 4.71 CHEMBL
Bacterial leucyl aminopeptidase Enzyme Ki 8.80 CHEMBL
Cytosol aminopeptidase Enzyme Ki 6.30 CHEMBL
Aminopeptidase B Enzyme Ki 7.85 CHEMBL
Leucyl-cystinyl aminopeptidase Enzyme Ki 7.70 CHEMBL
Aminopeptidase B Enzyme IC50 5.22 CHEMBL
Aminopeptidase N Enzyme Ki 9.30 CHEMBL
M1 family aminopeptidase Enzyme Ki 6.72 CHEMBL

External reference:

IDSource
D00087 KEGG_DRUG
CHEMBL29292 ChEMBL_ID
C012211 MESH_SUPPLEMENTAL_RECORD_UI
I0J33N5627 UNII
5940 INN_ID
BES PDB_CHEM_ID
DB03424 DRUGBANK_ID
CHEBI:3070 CHEBI
5151 IUPHAR_LIGAND_ID
72172 PUBCHEM_CID

Pharmaceutical products:

None