Compound Detail
CHEMBL82598
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Basic Information
| ChEMBL ID | CHEMBL82598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXWSOXCFMXFTSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
385.3
MW (Da)
5.17
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felis catus CHEMBL612670 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felis catus | IC50 | = | 20.0 | nM | 7.7 | In vitro inhibition of HCO3- stimulated swelling in cat cerebrocortical tissue s... | 7086844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7086844 | 10.1021/jm00347a017 | No relevant target | 2 |
| 7086844 | 10.1021/jm00347a017 | Felis catus | 2 |
| 2810334 | 10.1021/jm00131a008 | ADMET | 2 |
| 7086844 | 10.1021/jm00347a017 | Rattus norvegicus | 1 |
| 7086844 | 10.1021/jm00347a017 | Canis familiaris | 1 |
| 7086844 | 10.1021/jm00347a017 | Pan troglodytes | 1 |
Data from ChEMBL 36 via Core Engine