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Compound Detail

CHEMBL3633416

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Cc1ccc(S(=O)(=O)Nc2ccc(Br)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633416
Phase Preclinical
Structure Type MOL
InChI Key OYSZDLIZVFKAIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

376.3
MW (Da)
4.71
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrNO2S
MW 376.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
26463131 10.1016/j.bmcl.2015.09.067 A549 2
26463131 10.1016/j.bmcl.2015.09.067 Cyclin-dependent kinases regulatory subunit 1/S-phase kinase-associated protein 2 1
26463131 10.1016/j.bmcl.2015.09.067 NON-PROTEIN TARGET 1
26463131 10.1016/j.bmcl.2015.09.067 NCI-H1299 1

Data from ChEMBL 36 via Core Engine