Compound Detail
CHEMBL2391939
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Basic Information
| ChEMBL ID | CHEMBL2391939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXFCZOCWXLILSQ-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
475.0
MW (Da)
3.58
ALogP
5
HBA
2
HBD
71.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 1.4 | nM | 8.85 | Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1a... | 23659855 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of human ERG expressed in HEK cells by ion flux electrophysiology met... | 23659855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23659855 | 10.1016/j.bmcl.2013.04.047 | Hepatocyte | 2 |
| 23659855 | 10.1016/j.bmcl.2013.04.047 | Caco-2 | 1 |
| 23659855 | 10.1016/j.bmcl.2013.04.047 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23659855 | 10.1016/j.bmcl.2013.04.047 | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine