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Compound Detail

CHEMBL5862935

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CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2c(c1)CN1CC(=O)OC[C@H]1CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5862935
Phase Preclinical
Structure Type MOL
InChI Key IOQSSFLGLLVMPI-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
1.54
ALogP
8
HBA
1
HBD
107.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FN3O6S
MW 437.45
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alkaline phosphatase, tissue-nonspecific isozyme IC50 = 0.6 nM 9.22 Inhibitory Test of TNAP Activity: COS1 cells (DS Pharma Biomedical Co., Ltd.) we... -

Data from ChEMBL 36 via Core Engine