Compound Detail
CHEMBL112766
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Basic Information
| ChEMBL ID | CHEMBL112766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFSOCTSNUFCJTG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.26
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | Apparent IC50 value by [3H]batrachotoxinin-A-20-alpha-benzoate-binding test perf... | 9719582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9719582 | 10.1021/jm9608772 | Rattus norvegicus | 6 |
| 9719582 | 10.1021/jm9608772 | Mus musculus | 4 |
| 9719582 | 10.1021/jm9608772 | ADMET | 3 |
| 9719582 | 10.1021/jm9608772 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine