e-Drug3D
547
ACETOHYDROXAMIC ACID
INN
ACETOHYDROXAMIC ACID
cas 546-88-3
CLASS
GENITO
UREASE INHIBITOR
TREATMENT OF INFETION-INDUCED URINARY STONES
ROUTE (list)
ORAL
ATC code
G04BX03
PK parameters
F 100 PERCENT
Tmax 0.625 HOUR
t1/2 7.5 HOUR (PMID649302)
Solubility
HIGHLY SOLUBLE IN WATER
TARGET UREASE
MACROPHAGE METALLOELASTASE (MATRIX METALLOPROTEINASE-12 (MMP-12))
MACROPHAGE METALLOELASTASE (MATRIX METALLOPROTEINASE-12 (MMP-12))
PDB
1Y93 (CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH ACETOHYDROXAMIC ACID AT ATOMIC RESOLUTION)
Ligand code = HAE (link to the list of PDB complexes)
Download experimental 3D coordinates of HAE with added hydrogens
Bacterial urease UNIPROT Q03282 ureA
Formula:
C2H5NO2
Calculated chemical properties:
MW 75.07
NB_atoms 5
XLogP -0.49
PSA 54.616
NB_HD 2
NB_HA 3
fsp3 0.50
Lipinski(0=no;1=yes) 1
NB_atoms 5
XLogP -0.49
PSA 54.616
NB_HD 2
NB_HA 3
fsp3 0.50
Lipinski(0=no;1=yes) 1
FDA
NDA 018749 (pdf not found) INN (ACETOHYDROXAMIC ACID) LITHOSTAT (MISSION PHARMA) APPROVAL= AP YEAR= 1983 NEWMOLECULARENTITY
NDA 018749 (pdf not found) INN (ACETOHYDROXAMIC ACID) LITHOSTAT (MISSION PHARMA) APPROVAL= AP YEAR= 1983 NEWMOLECULARENTITY