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Compound Detail

CHEMBL5285823

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Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@]3(CCCNC3)O2)cc1

Basic Information

ChEMBL ID CHEMBL5285823
Phase Preclinical
Structure Type MOL
InChI Key PZFAVBWPBPGSBZ-RBBKRZOGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.28
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24FN3O
MW 365.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.32

Activity Summary

EC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.19 7.19 64.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 64.0 nM 7.19 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