Compound Detail
CHEMBL278054
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Basic Information
| ChEMBL ID | CHEMBL278054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKJDPXSXCZMISN-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.8
MW (Da)
-0.19
ALogP
9
HBA
6
HBD
91.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas.
Ki 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | Ki | 7.08 | 7.08 | 83.0 | 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 | = | 83.0 | nM | 7.08 | Binding affinity to CXCR4 (unknown origin) assessed as inhibition constant | 28165741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562918 | 10.1021/jm00019a017 | Human immunodeficiency virus 1 | 2 |
| 7562918 | 10.1021/jm00019a017 | Human immunodeficiency virus | 1 |
| 7562918 | 10.1021/jm00019a017 | HuT78 | 1 |
| 28165741 | 10.1021/acs.jmedchem.6b01309 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine