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Compound Detail

CHEMBL207663

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COC(=O)c1sc(-c2ccccc2)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL207663
Phase Preclinical
Structure Type MOL
InChI Key QESSCNMSOLRYBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.78
ALogP
4
HBA
1
HBD
52.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO2S
MW 233.29
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
16686533 10.1021/jm0510979 Inhibitor of nuclear factor kappa-B kinase subunit beta 1

Data from ChEMBL 36 via Core Engine