Compound Detail
CHEMBL3799578
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 | CHEMBL3799578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSDWNJPKSHXSJP-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
3.41
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.8
IC50 1 meas. best 8.1
Ki 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | Ki | = | 3.162 | nM | 8.5 | Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell me... | 26991939 |
| C-C chemokine receptor type 4 | IC50 | = | 7.943 | nM | 8.1 | Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay | 26991939 |
| C-C chemokine receptor type 4 | EC50 | = | 15.85 | nM | 7.8 | 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 | 5 |
| 26991939 | 10.1016/j.ejmech.2016.02.058 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine