Compound Detail
CHEMBL232839
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Basic Information
| ChEMBL ID | CHEMBL232839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMYNYJMAPDEHIX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
5.10
ALogP
6
HBA
1
HBD
58.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 820.0 | nM | 6.09 | Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells | 17098428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17098428 | 10.1016/j.bmcl.2006.10.091 | C-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine