Compound Detail
CHEMBL5177406
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Basic Information
| ChEMBL ID | CHEMBL5177406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUNMBCXPZDPUJT-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
5.09
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.25 | 5.25 | 5600.0 | 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 | = | 5600.0 | nM | 5.25 | Inhibition of hERG channel expressed in CHO cells at holding potential of -80 mV... | 34782182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34782182 | 10.1016/j.ejmech.2021.113981 | ADMET | 2 |
| 34782182 | 10.1016/j.ejmech.2021.113981 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine