Compound Detail
CHEMBL170216
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Basic Information
| ChEMBL ID | CHEMBL170216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGSJPPOOCOMFCJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
4.15
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felis catus CHEMBL612670 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felis catus | IC50 | = | 1000.0 | nM | 6.0 | In vitro concentration required for 50% inhibition of swelling of cat cerebrocor... | 3701792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3701792 | 10.1021/jm00155a038 | No relevant target | 1 |
| 3701792 | 10.1021/jm00155a038 | Felis catus | 1 |
Data from ChEMBL 36 via Core Engine