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Compound Detail

CHEMBL1911617

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CCCCN(C)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1911617
Phase Preclinical
Structure Type MOL
InChI Key WJESTVRVMMFKFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.9
MW (Da)
4.56
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25ClN4O2
MW 436.94
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 IC50 6.84 6.84 144.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein IC50 = 144.0 nM 6.84 Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates af... 21916402

Literature References

PubMed DOI Target Context # Activities
21916402 10.1021/jm200770f Translocator protein 1

Data from ChEMBL 36 via Core Engine