Compound Detail
CHEMBL508207
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Basic Information
| ChEMBL ID | CHEMBL508207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYVBISCFCHREDA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
467.7
MW (Da)
5.24
ALogP
7
HBA
1
HBD
62.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.75 | 7.3725 | 18.0 | 4 |
| C-C chemokine receptor type 4 CHEMBL5410 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 289.62 | mL.min-1.kg-1 | Homo sapiens |
| CL | 17377.0 | mL.min-1.kg-1 | 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 | = | 18.0 | nM | 7.75 | Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells asse... | 19081254 |
| C-C chemokine receptor type 4 | IC50 | = | 18.0 | nM | 7.75 | Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [... | 18539035 |
| C-C chemokine receptor type 4 | IC50 | = | 39.0 | nM | 7.41 | Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells asse... | 19081254 |
| C-C chemokine receptor type 4 | IC50 | = | 73.0 | nM | 7.14 | Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 ... | 18539035 |
| C-C chemokine receptor type 4 | IC50 | = | 140.0 | nM | 6.85 | Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells asse... | 19081254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18539035 | 10.1016/j.bmc.2008.05.036 | C-C chemokine receptor type 4 | 6 |
| 19081254 | 10.1016/j.bmc.2008.11.020 | C-C chemokine receptor type 4 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18694645 | 10.1016/j.bmc.2008.07.062 | Liver microsomes | 1 |
| 19081254 | 10.1016/j.bmc.2008.11.020 | Liver microsomes | 1 |
| 19081254 | 10.1016/j.bmc.2008.11.020 | Mus musculus | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine