Compound Detail
CHEMBL5189300
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Basic Information
| ChEMBL ID | CHEMBL5189300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NABAWQRCDXXOMF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.4
MW (Da)
4.86
ALogP
4
HBA
0
HBD
40.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 3 CHEMBL2321613 | IC50 | 8.01 | 6.5967 | 9.7 | 3 |
| Potassium channel subfamily K member 9 CHEMBL2321614 | IC50 | 7.82 | 7.58 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 3 | IC50 | = | 9.7 | nM | 8.01 | Inhibition In Vito Assay: The investigations on the inhibition of the recombinan... | - |
| Potassium channel subfamily K member 9 | IC50 | = | 15.0 | nM | 7.82 | Inhibition In Vito Assay: The investigations on the inhibition of the recombinan... | - |
| Potassium channel subfamily K member 9 | IC50 | = | 46.0 | nM | 7.34 | Inhibition In Vito Assay: The investigations on the inhibition of the recombinan... | - |
| Potassium channel subfamily K member 3 | IC50 | = | 172.0 | nM | 6.76 | Inhibition In Vito Assay: The investigations on the inhibition of the recombinan... | - |
| Potassium channel subfamily K member 3 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of human TASK-1 expressed in Xenopus laevis oocytes assessed as inhib... | 36378530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36378530 | 10.1021/acs.jmedchem.1c00378 | Potassium channel subfamily K member 3 | 1 |
Data from ChEMBL 36 via Core Engine