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Compound Detail

CHEMBL5197345

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CO[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccccc3)CS(=O)(=O)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197345
Phase Preclinical
Structure Type MOL
InChI Key AUMPTONPYSNVHZ-GXTWGEPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
0.51
ALogP
7
HBA
1
HBD
118.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO7S2
MW 397.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
35152091 10.1016/j.ejmech.2022.114174 Unchecked 1

Data from ChEMBL 36 via Core Engine