Compound Detail
CHEMBL255408
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Basic Information
| ChEMBL ID | CHEMBL255408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAOQJSULMWXFRK-GOSISDBHSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
3.48
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.62
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 7.62 | 6.526 | 24.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | EC50 | = | 20.0 | nM | 7.7 | Inhibition of MCP-1 induced chemotaxis in THP-1 cells | 15454236 |
| C-C chemokine receptor type 2 | IC50 | = | 24.0 | nM | 7.62 | Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-i... | 18313297 |
| C-C chemokine receptor type 2 | IC50 | = | 180.0 | nM | 6.75 | Concentration required to inhibit [125I]MCP-1 binding to Chemokine receptor 2B | 15454236 |
| C-C chemokine receptor type 2 | IC50 | = | 180.0 | nM | 6.75 | Displacement of [125I]MCP1 from human CCR2b in THP1 cells | 18313297 |
| C-C chemokine receptor type 2 | IC50 | = | 980.0 | nM | 6.01 | Antagonist activity at human CCR2B receptor expressed in HEK293 cells assessed a... | 20223662 |
| C-C chemokine receptor type 2 | IC50 | = | 3200.0 | nM | 5.5 | Displacement of [125I]MCP1 from human CCR2B receptor expressed in HEK293-EBNA ce... | 20223662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454236 | 10.1016/j.bmcl.2004.08.009 | C-C chemokine receptor type 2 | 3 |
| 20223662 | 10.1016/j.bmcl.2010.02.072 | C-C chemokine receptor type 2 | 3 |
| 18313297 | 10.1016/j.bmcl.2008.02.015 | C-C chemokine receptor type 2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 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