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Compound Detail

CHEMBL1651226

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CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651226
Phase Preclinical
Structure Type MOL
InChI Key BVTZDZRXVAOZCK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
7.02
ALogP
3
HBA
0
HBD
42.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N2O2
MW 446.64
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.47

Activity Summary

Ki 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 Ki 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 0.299 nM 9.52 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