Compound Detail
CHEMBL3233186
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL3233186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHZQFCCAXXWWLW-MALNDZBISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
3.74
ALogP
5
HBA
1
HBD
86.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 9.7 | 9.585 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 0.2 | nM | 9.7 | Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotax... | 24613378 |
| C-C chemokine receptor type 2 | IC50 | = | 0.34 | nM | 9.47 | Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC | 24613378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24613378 | 10.1016/j.bmcl.2014.02.013 | C-C chemokine receptor type 2 | 2 |
| 24613378 | 10.1016/j.bmcl.2014.02.013 | Unchecked | 2 |
| 24613378 | 10.1016/j.bmcl.2014.02.013 | Liver microsome | 1 |
| 24613378 | 10.1016/j.bmcl.2014.02.013 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24613378 | 10.1016/j.bmcl.2014.02.013 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine