Compound Detail
CHEMBL3233185
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
CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O
Basic Information
| ChEMBL ID | CHEMBL3233185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVXGBMXCKBNWOV-PUHABZHSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
539.7
MW (Da)
4.00
ALogP
5
HBA
1
HBD
86.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 1.1 | nM | 8.96 | Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC | 24613378 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of human ERG by FLIPR assay | 24613378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24613378 | 10.1016/j.bmcl.2014.02.013 | C-C chemokine receptor type 2 | 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 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine