Compound Detail
CHEMBL5612086
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CCN(CC)CCCC(C)Nc1cc(OC)cc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)ccc12
Basic Information
| ChEMBL ID | CHEMBL5612086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNHDOUJWIDSXDG-FMIVXFBMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
6.24
ALogP
6
HBA
1
HBD
80.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 5.67 | 5.67 | 2160.0 | 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 | = | 2160.0 | nM | 5.67 | Inhibition of CXCR4 receptor (unknown origin) | 38879970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38879970 | 10.1016/j.ejmech.2024.116594 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine