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Compound Detail

CHEMBL1830765

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CCCCCCN(CCCCCC)C(=O)Cc1coc(-c2ccc(C)cc2)n1

Basic Information

ChEMBL ID CHEMBL1830765
Phase Preclinical
Structure Type MOL
InChI Key UFEXXBCJGLENTI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.6
MW (Da)
6.18
ALogP
3
HBA
0
HBD
46.3
PSA (Ų)
0.39
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 C24H36N2O2
MW 384.56
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.08

Activity Summary

Ki 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
Ki 6.06 6.06 877.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 877.0 nM 6.06 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