Compound Detail
CHEMBL379880
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Basic Information
| ChEMBL ID | CHEMBL379880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMIHWLRZUFAWTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
5.46
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 59000.0 | nM | 4.23 | Spasmolytic activity in Wistar rat ileum | 16784847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16784847 | 10.1016/j.bmcl.2006.05.082 | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine