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Compound Detail

CHEMBL2380733

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CC(=O)N1C[C@H](S(=O)(=O)c2ccccc2)C[C@H]1C(=O)NC(Cc1ccccc1)C(=O)c1nc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2380733
Phase Preclinical
Structure Type MOL
InChI Key UHATYBOYHJVLMK-KIDMSAQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
3.20
ALogP
7
HBA
1
HBD
126.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27N3O6S
MW 545.62
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.70

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