Compound Detail
CHEMBL157816
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Basic Information
| ChEMBL ID | CHEMBL157816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFUBXIOWFAWDGY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1181167 |
| Active Moiety | CHEMBL1181167 |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
1.10
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.46
EC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 8.49 | 8.49 | 3.2 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 5.46 | 5.385 | 3500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 3.2 | nM | 8.49 | Concentration that elicits 50% of its own maximum contractile response in guinea... | 3346881 |
| Cavia porcellus | Kd | = | 3500.0 | nM | 5.46 | Equilibrium dissociation constant receptor complex, measured in guinea pig urina... | 3346881 |
| Cavia porcellus | Kd | = | 4900.0 | nM | 5.31 | Equilibrium dissociation constant receptor complex, measured in guinea pig ileum | 3346881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3346881 | 10.1021/jm00398a031 | Cavia porcellus | 6 |
| 3346881 | 10.1021/jm00398a031 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine