Compound Detail
CHEMBL4745211
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CO[C@@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
Basic Information
| ChEMBL ID | CHEMBL4745211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQXRZMLQJILMDA-UWVGGRQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
3.08
ALogP
8
HBA
1
HBD
108.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily T member 1 CHEMBL4739688 | IC50 | 6.13 | 6.13 | 744.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily T member 1 | IC50 | = | 744.0 | nM | 6.13 | Inhibition of recombinant wild type human 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 | 1 |
Data from ChEMBL 36 via Core Engine