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Compound Detail

CHEMBL1651228

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CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651228
Phase Preclinical
Structure Type MOL
InChI Key JYVRTJFHULBGHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
5.08
ALogP
3
HBA
0
HBD
42.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O2
MW 396.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.89

Activity Summary

Ki 1 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 Ki 8.54 8.54 2.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 2.92 nM 8.54 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