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Compound Detail

CHEMBL5269980

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

Basic Information

ChEMBL ID CHEMBL5269980
Phase Preclinical
Structure Type MOL
InChI Key HDBDKWCTVBALQV-AQNXPRMDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.89
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22FN3O
MW 351.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.17

Activity Summary

EC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.37 6.37 423.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 423.0 nM 6.37 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