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

CHEMBL484932

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
CCCN(CCC)C(=O)Cc1c(-c2ccc(OC(=O)CN)cc2)nc2c(Cl)cc(Cl)cn12.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484932
Phase Preclinical
Structure Type MOL
InChI Key OYEARBUVUVDMJU-UHFFFAOYSA-N
Parent Compound CHEMBL1186973
Active Moiety CHEMBL1186973
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
4.36
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27Cl3N4O3
MW 513.85
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 Ki 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 1.52 nM 8.82 Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Sprague-D... 18834105

Literature References

PubMed DOI Target Context # Activities
18834105 10.1021/jm8006728 GABA-A receptor; alpha-1/beta-2/gamma-2 2
18834105 10.1021/jm8006728 Unchecked 1
18834105 10.1021/jm8006728 Translocator protein 1

Data from ChEMBL 36 via Core Engine