Compound Detail
CHEMBL495737
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Basic Information
| ChEMBL ID | CHEMBL495737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTAGCXBAEBBEDM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
540.1
MW (Da)
4.63
ALogP
8
HBA
2
HBD
83.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL5410 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 61.0 | nM | 7.21 | Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells asse... | 19081254 |
| C-C chemokine receptor type 4 | IC50 | = | 390.0 | nM | 6.41 | Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells asse... | 19081254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19081254 | 10.1016/j.bmc.2008.11.020 | C-C chemokine receptor type 4 | 3 |
Data from ChEMBL 36 via Core Engine