Compound Detail
CHEMBL5172358
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O=C(c1cccc(OC(F)(F)F)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
Basic Information
| ChEMBL ID | CHEMBL5172358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIFMANNOUHDCIV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.9
MW (Da)
4.91
ALogP
6
HBA
0
HBD
63.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 9 CHEMBL2321614 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| Potassium channel subfamily K member 3 CHEMBL2321613 | IC50 | 7.38 | 6.25 | 42.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 9 | IC50 | = | 9.4 | nM | 8.03 | Inhibition In Vito Assay: The investigations on the inhibition of the recombinan... | - |
| Potassium channel subfamily K member 3 | IC50 | = | 42.0 | nM | 7.38 | Inhibition In Vito Assay: The investigations on the inhibition of the recombinan... | - |
| Potassium channel subfamily K member 3 | IC50 | = | 7600.0 | nM | 5.12 | 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