Compound Detail
CHEMBL5284797
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5284797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJJMZDHPUKDYAB-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.7
MW (Da)
-0.85
ALogP
8
HBA
7
HBD
87.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | Ki | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | Ki | = | 650.0 | nM | 6.19 | Binding affinity to CXCR4 (unknown origin) assessed as inhibition constant | 28165741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28165741 | 10.1021/acs.jmedchem.6b01309 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine