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Compound Detail

CHEMBL4858420

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CC1(C)C(OC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C2CCN1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858420
Phase Preclinical
Structure Type MOL
InChI Key RYBIBNAWKJCGPW-NQCNTLBGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.78
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.72
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 C25H29FN2O2
MW 408.52
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.28

Activity Summary

EC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.24 6.24 574.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 574.0 nM 6.24 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