TOSEDOSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KZK563J2UW

Structure
InChI Key FWFGIHPGRQZWIW-SQNIBIBYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Aminopeptidase 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 - 1180 83
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 1500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 238750-77-1
ChEBI 95044
ChEMBL CHEMBL2103847
DrugBank DB11781
EPA CompTox DTXSID60178577
FDA SRS KZK563J2UW
PubChem 15547703
SureChEMBL SCHEMBL19236550
ZINC ZINC000013914293
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