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Compound Detail

CHEMBL1651235

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CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12

Basic Information

ChEMBL ID CHEMBL1651235
Phase Preclinical
Structure Type MOL
InChI Key MLCVCXVSSRUHRR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
4.83
ALogP
3
HBA
0
HBD
42.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21FN2O2
MW 400.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.09

Activity Summary

Ki 1 meas. best 8.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
Ki 8.17 8.17 6.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 6.77 nM 8.17 Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane 21133364

Literature References

PubMed DOI Target Context # Activities
21133364 10.1021/jm101230g Translocator protein 2

Data from ChEMBL 36 via Core Engine