Compound Detail
CHEMBL3799393
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Basic Information
| ChEMBL ID | CHEMBL3799393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZALVCIBELBSJOR-HXUWFJFHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
4.44
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.2
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | Ki | = | 5.012 | nM | 8.3 | Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell me... | 26991939 |
| C-C chemokine receptor type 4 | EC50 | = | 6.31 | nM | 8.2 | Induction of CCR4 internalisation in human HUT78 cells after 30 mins by flow cyt... | 26991939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26991939 | 10.1016/j.ejmech.2016.02.058 | C-C chemokine receptor type 4 | 4 |
| 26991939 | 10.1016/j.ejmech.2016.02.058 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine