Compound Detail
CHEMBL4791845
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Basic Information
| ChEMBL ID | CHEMBL4791845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUDHVIQDQRIHEW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
6.19
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 2000.0 | nM | 5.7 | Antagonist activity at CXCR2 (unknown origin) expressed in U2OS cells cotransfec... | 32829163 |
| C-X-C chemokine receptor type 4 | IC50 | = | 14600.0 | nM | 4.84 | Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfec... | 32829163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32829163 | 10.1016/j.ejmech.2020.112387 | C-X-C chemokine receptor type 2 | 1 |
| 32829163 | 10.1016/j.ejmech.2020.112387 | C-X-C chemokine receptor type 4 | 1 |
| 32829163 | 10.1016/j.ejmech.2020.112387 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine