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Compound Detail

CHEMBL2380730

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CCC(NC(=O)[C@@H]1C[C@@H](S(=O)(=O)CC)CN1C(C)=O)C(=O)c1nc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2380730
Phase Preclinical
Structure Type MOL
InChI Key IMXDKOLRDYMZGE-XIFZVWCKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
1.33
ALogP
7
HBA
1
HBD
126.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O6S
MW 435.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
23639544 10.1016/j.bmcl.2013.04.023 Cathepsin S 1

Data from ChEMBL 36 via Core Engine