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Compound Detail

CHEMBL4847917

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O=S(=O)(CC1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL4847917
Phase Preclinical
Structure Type MOL
InChI Key WFGDEYQLDZKGJE-AKRCKQFNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
3.44
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27FN2O2S
MW 414.55
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.61

Activity Summary

EC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1700.0 nM 5.77 Increase of PGRN level in mouse microglial BV-2 cell relative to control 34153473

Literature References

PubMed DOI Target Context # Activities
34153473 10.1016/j.bmcl.2021.128209 Unchecked 1

Data from ChEMBL 36 via Core Engine