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Compound Detail

CHEMBL5934405

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COc1cc(C)ccc1S(=O)(=O)Nc1cnc2ccccc2c1

Basic Information

ChEMBL ID CHEMBL5934405
Phase Preclinical
Structure Type MOL
InChI Key FBFJCNJZIZTYKI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.35
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O3S
MW 328.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine