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Compound Detail

CHEMBL325820

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Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325820
Phase Preclinical
Structure Type MOL
InChI Key OCCLHOOEBUGFPU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
5.62
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21FN2O
MW 384.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 IC50 8.66 8.66 2.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein IC50 = 2.2 nM 8.66 Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodi... 12904061
Translocator protein IC50 = 2.2 nM 8.66 Displacement of [3H]CB34 from TSPO receptor in rat brain cortex membrane by liqu... 34254805

Literature References

PubMed DOI Target Context # Activities
12904061 10.1021/jm034068b Translocator protein 1
34254805 10.1021/acs.jmedchem.1c00379 Translocator protein 1

Data from ChEMBL 36 via Core Engine