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Compound Detail

CHEMBL2431981

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Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2431981
Phase Preclinical
Structure Type MOL
InChI Key LBVFAUSNJUGZPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.32
ALogP
5
HBA
4
HBD
132.8
PSA (Ų)
0.61
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 C16H16N2O6S
MW 364.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
23968501 10.1021/jm3017255 Signal transducer and activator of transcription 3 1
31810784 10.1016/j.ejmech.2019.111922 Signal transducer and activator of transcription 3 1

Data from ChEMBL 36 via Core Engine