Compound Detail
CHEMBL2036761
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Basic Information
| ChEMBL ID | CHEMBL2036761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFVGWEJQGGMTKW-HNNXBMFYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
4.38
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 7.46 | 6.92 | 35.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 35.0 | nM | 7.46 | Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell... | 22608963 |
| C-C chemokine receptor type 2 | IC50 | = | 421.0 | nM | 6.38 | Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assess... | 22608963 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of human ERG | 22608963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22608963 | 10.1016/j.bmcl.2012.04.118 | C-C chemokine receptor type 2 | 2 |
| 22608963 | 10.1016/j.bmcl.2012.04.118 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine