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Compound Detail

CHEMBL1830742

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CCCN(CCC)C(=O)Cc1nc(-c2ccccc2)no1

Basic Information

ChEMBL ID CHEMBL1830742
Phase Preclinical
Structure Type MOL
InChI Key RMUJSGJCXXCYGM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
2.93
ALogP
4
HBA
0
HBD
59.2
PSA (Ų)
0.79
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 C16H21N3O2
MW 287.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.02

Activity Summary

Ki 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
Ki 5.36 5.36 4340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 4340.0 nM 5.36 Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes 21824692

Literature References

PubMed DOI Target Context # Activities
21824692 10.1016/j.ejmech.2011.07.025 Translocator protein 1

Data from ChEMBL 36 via Core Engine