Compound Detail
CHEMBL207725
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Basic Information
| ChEMBL ID | CHEMBL207725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJXYYMCUGCGBPZ-QFIPXVFZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.8
MW (Da)
5.48
ALogP
8
HBA
2
HBD
94.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | Ki | = | 60.0 | nM | 7.22 | Binding affinity to human CXCR2 receptor transfected in CHO cell | 16540318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16540318 | 10.1016/j.bmcl.2006.02.028 | C-X-C chemokine receptor type 2 | 1 |
| 16540318 | 10.1016/j.bmcl.2006.02.028 | Liver microsomes | 1 |
| 28165741 | 10.1021/acs.jmedchem.6b01309 | C-X-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine