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Compound Detail

CHEMBL258877

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CSCCC(C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258877
Phase Preclinical
Structure Type MOL
InChI Key CRBKJEFFAOMOCL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
1.19
ALogP
5
HBA
2
HBD
112.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO6S
MW 323.33
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.72

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18333608 10.1021/jm701500e Unchecked 1

Data from ChEMBL 36 via Core Engine