Compound Detail
CHEMBL5280895
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Basic Information
| ChEMBL ID | CHEMBL5280895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCIZFBNMFJHPFE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.99
ALogP
6
HBA
3
HBD
123.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aquaporin-1 CHEMBL4523210 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Aquaporin-4 CHEMBL5291512 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aquaporin-1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human AQP1 water channel expressed in Xenopus laevis oocytes asses... | 33007663 |
| Aquaporin-4 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of rat AQP4 water channel expressed in Xenopus laevis oocytes assesse... | 33007663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007663 | 10.1016/j.ejmech.2020.112855 | Aquaporin-1 | 1 |
| 33007663 | 10.1016/j.ejmech.2020.112855 | Aquaporin-4 | 1 |
Data from ChEMBL 36 via Core Engine