Compound Detail
CHEMBL488018
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Basic Information
| ChEMBL ID | CHEMBL488018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDLZTFYVGPVSQZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.73
ALogP
7
HBA
1
HBD
62.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.6 | 7.38 | 25.0 | 2 |
| C-C chemokine receptor type 4 CHEMBL5410 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 25.0 | nM | 7.6 | Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assay | 18694645 |
| C-C chemokine receptor type 4 | IC50 | = | 69.0 | nM | 7.16 | Antagonist activity at human CCR4 receptor assessed as inhibition of CCL22-induc... | 18694645 |
| C-C chemokine receptor type 4 | IC50 | = | 820.0 | nM | 6.09 | Antagonist activity at mouse CCR4 receptor assessed as inhibition of CCL22-induc... | 18694645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18694645 | 10.1016/j.bmc.2008.07.062 | C-C chemokine receptor type 4 | 4 |
| 18694645 | 10.1016/j.bmc.2008.07.062 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine