Compound Detail
CHEMBL242163
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Basic Information
| ChEMBL ID | CHEMBL242163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBCOUQRAAADUIJ-CMBBICFISA-M |
| Parent Compound | CHEMBL1182530 |
| Active Moiety | CHEMBL1182530 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
5.33
ALogP
3
HBA
1
HBD
28.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.31 | 4.31 | 48800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 6 | IC50 | = | 48800.0 | nM | 4.31 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19015338 | 10.1128/aac.00062-08 | Mus musculus | 8 |
| 19015338 | 10.1128/aac.00062-08 | Leishmania amazonensis | 5 |
| 22304847 | 10.1016/j.bmc.2012.01.009 | Trypanothione reductase | 4 |
| 17367894 | 10.1016/j.ejmech.2006.12.026 | Leishmania braziliensis | 1 |
| 17367894 | 10.1016/j.ejmech.2006.12.026 | Leishmania chagasi | 1 |
| 17367894 | 10.1016/j.ejmech.2006.12.026 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine