Compound Detail
CHEMBL1381819
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Basic Information
| ChEMBL ID | CHEMBL1381819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOFNOJJLNOMAHQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
3.18
ALogP
5
HBA
0
HBD
51.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.42
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | EC50 | 8.42 | 8.42 | 3.8 | 1 |
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 5.42 | 5.42 | 3800.0 | 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 | = | 3.8 | nM | 8.42 | Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells a... | 38879970 |
| C-X-C chemokine receptor type 4 | IC50 | = | 3800.0 | nM | 5.42 | Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXC... | 28826086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28826086 | 10.1016/j.ejmech.2017.08.027 | C-X-C chemokine receptor type 4 | 1 |
| 38879970 | 10.1016/j.ejmech.2024.116594 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine