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Compound Detail

CHEMBL4870196

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COc1ccc([C@H]2c3ccccc3CCN2C(=O)OC2CN3CCC2CC3)cc1

Basic Information

ChEMBL ID CHEMBL4870196
Phase Preclinical
Structure Type MOL
InChI Key BNRKJOIJONVPEZ-WCSIJFPASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.87
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O3
MW 392.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.09

Activity Summary

EC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.54 5.54 2870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 2870.0 nM 5.54 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