Compound Detail
CHEMBL68885
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Basic Information
| ChEMBL ID | CHEMBL68885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRQJWUGVRICENW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
2.46
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 5.78 | 5.78 | 1660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 1660.0 | nM | 5.78 | Inhibition of electrically evoked contraction in guinea pig ileum determined in ... | 2066993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2066993 | 10.1021/jm00111a041 | Rattus norvegicus | 2 |
| 2066993 | 10.1021/jm00111a041 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine