Compound Detail
CHEMBL342316
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Basic Information
| ChEMBL ID | CHEMBL342316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOHGODZVBZWKSR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.08
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 13000.0 | nM | 4.89 | Schultz-Dale (SD) reaction in tracheal strip isolated from passively sensitized ... | 1479586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1479586 | 10.1021/jm00104a013 | Cavia porcellus | 2 |
| 1479586 | 10.1021/jm00104a013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine