Bioactive Compound Details

BioIDbio200547
NameTOSEDOSTAT
ChEMBL IDCHEMBL2103847
Molecular FormulaC21H30N2O6
Molecular Weight406.48
Molecular Weight (Monoisotopic)406.2104
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsCHR 2797|CHR-2797|CHR2797|TOSEDOSTAT
SmilesCC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO
InchiInChI=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
Inchi KeyFWFGIHPGRQZWIW-SQNIBIBYSA-N
Molecular SpeciesNEUTRAL
Targets15.0
Bioactivities20.0
Np Likeness Score0.11
Records Key['TOSEDOSTAT', 'TOSEDOSTAT', '3', 'TOSEDOSTAT', 'CHR 2797', 'tosedostat', 'tosedostat', 'tosedostat']
Records Name['TOSEDOSTAT', 'TOSEDOSTAT', 'Tosedostat', 'TOSEDOSTAT', 'Tosedostat', 'tosedostat', 'tosedostat', 'tosedostat']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure