Compound Detail
CHEMBL426871
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL426871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDXKZPQOVUDXIY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.90
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ileum CHEMBL613680 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.23 | 5.23 | 5830.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ileum | IC50 | = | 140.0 | nM | 6.85 | Spasmolytic activity in guinea pig ileum assessed as inhibition of spontaneous c... | 14987052 |
| Rattus norvegicus | IC50 | = | 5830.0 | nM | 5.23 | Spasmolytic activity in Wistar rat ileum | 16784847 |
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of bovine brain CaM-dependent PDE assessed as inorganic phosphate rel... | 14987052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14987052 | 10.1021/np030303h | Ileum | 3 |
| 16784847 | 10.1016/j.bmcl.2006.05.082 | Rattus norvegicus | 2 |
| 34931827 | 10.1021/acs.jmedchem.1c01605 | Unchecked | 2 |
| 14987052 | 10.1021/np030303h | Unchecked | 1 |
| 14987052 | 10.1021/np030303h | Calmodulin | 1 |
| 28228364 | 10.1016/j.bmcl.2017.01.014 | Unchecked | 1 |
| 34931827 | 10.1021/acs.jmedchem.1c01605 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine