Compound Detail
CHEMBL516630
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Basic Information
| ChEMBL ID | CHEMBL516630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHRQNTXKNDYFNS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
4.98
ALogP
5
HBA
1
HBD
40.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 7.24 | 6.985 | 57.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | IC50 | = | 57.0 | nM | 7.24 | Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced ca... | 19053768 |
| C-X-C chemokine receptor type 4 | IC50 | = | 185.0 | nM | 6.73 | Displacement of [125I]CXCL12 from CXCR4 in human CEM cells | 19053768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053768 | 10.1021/jm801065q | C-X-C chemokine receptor type 4 | 2 |
Data from ChEMBL 36 via Core Engine