Compound Detail
CHEMBL4783241
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Basic Information
| ChEMBL ID | CHEMBL4783241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROEOAVPEGYPWNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
2.51
ALogP
6
HBA
0
HBD
48.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 5.81 | 5.81 | 1546.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | IC50 | = | 1546.0 | nM | 5.81 | Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in hum... | 32768738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32768738 | 10.1016/j.ejmech.2020.112537 | C-X-C chemokine receptor type 4 | 2 |
Data from ChEMBL 36 via Core Engine