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Compound Detail

CHEMBL1651227

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CCCCN(CC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651227
Phase Preclinical
Structure Type MOL
InChI Key QQJPWJDWWSQVRL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
4.68
ALogP
3
HBA
0
HBD
42.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O2
MW 362.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.86

Activity Summary

Ki 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 Ki 7.22 7.22 60.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 60.2 nM 7.22 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