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Compound Detail

CHEMBL1651231

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CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12

Basic Information

ChEMBL ID CHEMBL1651231
Phase Preclinical
Structure Type MOL
InChI Key XMAMYDHFMQTQMX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.69
ALogP
3
HBA
0
HBD
42.3
PSA (Ų)
0.37
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 C25H22N2O2
MW 382.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.84

Activity Summary

Ki 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
Ki 7.68 7.68 20.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 20.9 nM 7.68 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