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Compound Detail

CHEMBL476151

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Cc1ccsc1/C=C/C(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1

Basic Information

ChEMBL ID CHEMBL476151
Phase Preclinical
Structure Type MOL
InChI Key WWZNZTCKUNSQJL-NSCUHMNNSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
3.32
ALogP
7
HBA
1
HBD
62.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O4S
MW 442.58
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.80

Activity Summary

IC50 2 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 6.36 5.305 440.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

Data from ChEMBL 36 via Core Engine