Compound Detail
CHEMBL4074140
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Basic Information
| ChEMBL ID | CHEMBL4074140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLTWLUMGQHBDCU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
2.16
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | EC50 | = | 1.0 | nM | 9.0 | Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells a... | 38879970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27914361 | 10.1016/j.ejmech.2016.11.026 | C-X-C chemokine receptor type 4 | 5 |
| 27914361 | 10.1016/j.ejmech.2016.11.026 | Mus musculus | 4 |
| 27914361 | 10.1016/j.ejmech.2016.11.026 | MDA-MB-231 | 1 |
| 38879970 | 10.1016/j.ejmech.2024.116594 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine