Compound Detail
CHEMBL4754084
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Basic Information
| ChEMBL ID | CHEMBL4754084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCURJTIQCCBRFF-ZETCQYMHSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
3.31
ALogP
7
HBA
1
HBD
98.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily T member 1 CHEMBL4739688 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Potassium channel subfamily T member 1 CHEMBL4739694 | IC50 | 5.9 | 5.9 | 1251.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.6 | mL.min-1.g-1 | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily T member 1 | IC50 | = | 61.0 | nM | 7.21 | Inhibition of recombinant wild type human KNa1.1 expressed in human HEK-TREX cel... | 33859800 |
| Potassium channel subfamily T member 1 | IC50 | = | 1251.0 | nM | 5.9 | Inhibition of recombinant wild type mouse KNa1.1 expressed in human HEK-TREX cel... | 33859800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33859800 | 10.1021/acsmedchemlett.0c00675 | Potassium channel subfamily T member 1 | 2 |
| 33859800 | 10.1021/acsmedchemlett.0c00675 | No relevant target | 2 |
| 33859800 | 10.1021/acsmedchemlett.0c00675 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine