Compound Detail
CHEMBL404259
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Basic Information
| ChEMBL ID | CHEMBL404259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWUJEEUVCAHHTL-MRXNPFEDSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.9
MW (Da)
3.06
ALogP
4
HBA
3
HBD
87.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 8.44 | 7.7525 | 3.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 3.6 | nM | 8.44 | Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-i... | 18313297 |
| C-C chemokine receptor type 2 | IC50 | = | 23.1 | nM | 7.64 | Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-i... | 18313297 |
| C-C chemokine receptor type 2 | IC50 | = | 26.0 | nM | 7.58 | Displacement of [125I]MCP1 from human CCR2b in THP1 cells | 18313297 |
| C-C chemokine receptor type 2 | IC50 | = | 45.0 | nM | 7.35 | Displacement of [125I]MCP1 from human CCR2b in HEK293 cells | 18313297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18313297 | 10.1016/j.bmcl.2008.02.015 | C-C chemokine receptor type 2 | 5 |
| 18313297 | 10.1016/j.bmcl.2008.02.015 | C-C chemokine receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine