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Compound Detail

CHEMBL390536

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CCCC1(c2ccccc2)NC(=O)N(S(C)(=O)=O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390536
Phase Preclinical
Structure Type MOL
InChI Key CVNDGGOUNOLEJV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
1.19
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O4S
MW 296.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.69

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15588087 10.1021/jm040077o Unchecked 1
24332655 10.1016/j.bmc.2013.11.049 Unchecked 1

Data from ChEMBL 36 via Core Engine