Compound Detail
CHEMBL5270110
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Basic Information
| ChEMBL ID | CHEMBL5270110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPPQPMWDSDAYMV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.67
ALogP
5
HBA
2
HBD
79.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.54
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COS-7 CHEMBL614564 | EC50 | 7.54 | 7.54 | 29.0 | 1 |
| C-C chemokine receptor type 8 CHEMBL4596 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COS-7 | EC50 | = | 29.0 | nM | 7.54 | Antiproliferative activity against African green monkey COS7 cells assessed as i... | 28165741 |
| C-C chemokine receptor type 8 | IC50 | = | 31.62 | nM | 7.5 | Inhibition of CCR8 mutant (unknown origin) | 28165741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28165741 | 10.1021/acs.jmedchem.6b01309 | COS-7 | 1 |
| 28165741 | 10.1021/acs.jmedchem.6b01309 | C-C chemokine receptor type 8 | 1 |
Data from ChEMBL 36 via Core Engine