Compound Detail
CHEMBL515449
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Basic Information
| ChEMBL ID | CHEMBL515449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPXSRCRJMMFZMM-HIXSDJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.10
ALogP
6
HBA
0
HBD
74.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL5557 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Potassium voltage-gated channel subfamily KQT member 1 CHEMBL5135 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of ERG in guinea pig ventricular myocytes assessed as blockade of rap... | 19185489 |
| Potassium voltage-gated channel subfamily KQT member 1 | IC50 | = | 1040.0 | nM | 5.98 | Inhibition of KVLQT1/minK in guinea pig ventricular myocytes assessed as blockad... | 19185489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19185489 | 10.1016/j.bmcl.2009.01.022 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19185489 | 10.1016/j.bmcl.2009.01.022 | Potassium voltage-gated channel subfamily KQT member 1 | 1 |
Data from ChEMBL 36 via Core Engine