Compound Detail
CHEMBL4069639
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Basic Information
| ChEMBL ID | CHEMBL4069639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOUOYDCEDKISIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.3
MW (Da)
2.52
ALogP
8
HBA
2
HBD
111.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 79.43 | nM | 7.1 | Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell mem... | 28801066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28801066 | 10.1016/j.bmc.2017.07.052 | No relevant target | 2 |
| 28801066 | 10.1016/j.bmc.2017.07.052 | C-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine