Compound Detail
CHEMBL233046
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Basic Information
| ChEMBL ID | CHEMBL233046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDQQUDANFRCFMF-FQEVSTJZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
500.4
MW (Da)
3.73
ALogP
7
HBA
2
HBD
86.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 8.52 | 8.1233 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 3.0 | nM | 8.52 | Antagonist activity at human CCR4 expressed in CEMS529 cells assessed as effect ... | 17098428 |
| C-C chemokine receptor type 4 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of MDC-induced chemotaxis in L1.2 cells expressing CCR4 | 17098428 |
| C-C chemokine receptor type 4 | IC50 | = | 20.0 | nM | 7.7 | Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells | 17098428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17098428 | 10.1016/j.bmcl.2006.10.091 | C-C chemokine receptor type 4 | 5 |
| 17098428 | 10.1016/j.bmcl.2006.10.091 | ADMET | 2 |
| 17098428 | 10.1016/j.bmcl.2006.10.091 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17098428 | 10.1016/j.bmcl.2006.10.091 | Hepatocyte | 1 |
| 17098428 | 10.1016/j.bmcl.2006.10.091 | Cytochrome P450 | 1 |
Data from ChEMBL 36 via Core Engine