Compound Detail
CHEMBL459600
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Basic Information
| ChEMBL ID | CHEMBL459600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXWWRPHSVBRJJH-YSYXNDDBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
4.81
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 7.02 | 7.02 | 94.6 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 94.6 | nM | 7.02 | Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells a... | 19171484 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1650.0 | nM | 5.78 | 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