Compound Detail
CHEMBL4750925
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4750925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGWZRBVBCYMDHA-VIFPVBQESA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
2.52
ALogP
8
HBA
1
HBD
108.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily T member 1 CHEMBL4739688 | IC50 | 6.49 | 6.49 | 322.0 | 1 |
| Potassium channel subfamily T member 1 CHEMBL4739694 | IC50 | 4.77 | 4.77 | 17140.0 | 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 | = | 322.0 | nM | 6.49 | Inhibition of recombinant wild type human KNa1.1 expressed in human HEK-TREX cel... | 33859800 |
| Potassium channel subfamily T member 1 | IC50 | = | 17140.0 | nM | 4.77 | 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