Compound Detail
CHEMBL4172568
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Basic Information
| ChEMBL ID | CHEMBL4172568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLWYTTSVRALNCB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.2
MW (Da)
2.90
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 39.81 | nM | 7.4 | Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed... | 28947948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28947948 | 10.1021/acsmedchemlett.7b00315 | ADMET | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-C chemokine receptor type 4 | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine