Ubenimex hydrochlorideProduct ingredient for Ubenimex
- Name
- Ubenimex hydrochloride
- Drug Entry
- Ubenimex
Ubenimex (also known as bestatin) 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.
- Accession Number
- DBSALT002908
- Structure
Structure for Ubenimex hydrochloride (DBSALT002908)
- Synonyms
- Ubenimex HCl
- UNII
- BY7Y2JX7NQ
- CAS Number
- 65391-42-6
- Weight
- Average: 344.84
Monoisotopic: 344.150285 - Chemical Formula
- C16H25ClN2O4
- InChI Key
- XGDFITZJGKUSDK-UDYGKFQRSA-N
- InChI
- InChI=1S/C16H24N2O4.ClH/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11;/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22);1H/t12-,13+,14+;/m1./s1
- IUPAC Name
- (2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoic acid hydrochloride
- SMILES
- Cl.CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O
- External Links
- ChemSpider
- 10131731
- ChEMBL
- CHEMBL538595
- Predicted Properties
Property Value Source Water Solubility 1.29 mg/mL ALOGPS logP -1.2 ALOGPS logP -1.1 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 3.73 Chemaxon pKa (Strongest Basic) 8.35 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 112.65 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 82.05 m3·mol-1 Chemaxon Polarizability 33.09 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon