Compound Detail
CHEMBL157875
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Basic Information
| ChEMBL ID | CHEMBL157875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMHKTTNQONQQRB-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
0.71
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.64
Kd 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 9.64 | 8.99 | 0.2 | 2 |
| Cavia porcellus CHEMBL369 | Kd | 6.28 | 6.26 | 520.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 0.23 | nM | 9.64 | Concentration that elicits 50% of its own maximum contractile response in guinea... | 3346881 |
| Cavia porcellus | EC50 | = | 4.6 | nM | 8.34 | Concentration that elicits 50% of its own maximum contractile response in guinea... | 3346881 |
| Cavia porcellus | Kd | = | 520.0 | nM | 6.28 | Equilibrium dissociation constant receptor complex, measured in guinea pig ileum | 3346881 |
| Cavia porcellus | Kd | = | 580.0 | nM | 6.24 | Equilibrium dissociation constant receptor complex, measured in guinea pig urina... | 3346881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3346881 | 10.1021/jm00398a031 | Cavia porcellus | 8 |
| 3346881 | 10.1021/jm00398a031 | Mus musculus | 5 |
Data from ChEMBL 36 via Core Engine