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Compound Detail

CHEMBL4854502

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O=C(OC1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1cccc(F)c1F

Basic Information

ChEMBL ID CHEMBL4854502
Phase Preclinical
Structure Type MOL
InChI Key GOGFYOOTHKGVCY-LWMIZPGFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
4.14
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F2N2O2
MW 398.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.39

Activity Summary

EC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.96 5.96 1110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1110.0 nM 5.96 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