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Compound Detail

CHEMBL5284980

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Fc1ccc([C@H]2c3ccccc3CCN2C2=N[C@H]3CNC[C@H]3O2)cc1

Basic Information

ChEMBL ID CHEMBL5284980
Phase Preclinical
Structure Type MOL
InChI Key CJYUUMZUGDEECX-OTWHNJEPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
2.50
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20FN3O
MW 337.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.36

Activity Summary

EC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.29 6.29 517.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 517.0 nM 6.29 Induction of progranulin secretion in mouse BV-2 cells 36368496

Literature References

PubMed DOI Target Context # Activities
36368496 10.1016/j.bmcl.2022.129048 Unchecked 1

Data from ChEMBL 36 via Core Engine