Compound Detail
CHEMBL469724
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Basic Information
| ChEMBL ID | CHEMBL469724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PISDDJAHCRTSLZ-WIIYFNMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
4.78
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 2.0 | nM | 8.7 | Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells a... | 19171484 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 4000.0 | nM | 5.4 | Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells | 19171484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19171484 | 10.1016/j.bmcl.2009.01.009 | C-C chemokine receptor type 5 | 1 |
| 19171484 | 10.1016/j.bmcl.2009.01.009 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19171484 | 10.1016/j.bmcl.2009.01.009 | No relevant target | 1 |
| 19171484 | 10.1016/j.bmcl.2009.01.009 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine