Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL462485

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462485
Phase Preclinical
Structure Type MOL
InChI Key QSYZJKXXXWISFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
6.10
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27ClN2O2
MW 410.95
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 Ki 8.47 8.47 3.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 3.4 nM 8.47 Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondria... 18729350

Literature References

PubMed DOI Target Context # Activities
18729350 10.1021/jm8003224 Translocator protein 1
18729350 10.1021/jm8003224 C6 1

Data from ChEMBL 36 via Core Engine