TOSEDOSTAT

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII KZK563J2UW
EPA CompTox DTXSID60178577

Structure

InChI Key FWFGIHPGRQZWIW-SQNIBIBYSA-N
Smiles CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO
InChI
InChI=1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30N2O6
Molecular Weight 406.48
AlogP 1.86
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 124.96
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Aminopeptidase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family
- 260-680 - - 82.9
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 190 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 190-680 - - 35-82.9

Cross References

Resources Reference
ChEBI 95044
ChEMBL CHEMBL2103847
DrugBank DB11781
FDA SRS KZK563J2UW
PubChem 15547703
SureChEMBL SCHEMBL19236550
ZINC ZINC000013914293
CONTENTS