Compound Detail
CHEMBL60236
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Basic Information
| ChEMBL ID | CHEMBL60236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LREZXNURYHAECC-ATJXCDBQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.51
ALogP
5
HBA
0
HBD
82.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 5.48 | 5.48 | 3311.3 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 5.44 | 5.44 | 3630.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 3311.31 | nM | 5.48 | Spontaneous relaxant activity in rat aorta precontracted with 30 mM KCl | - |
| Cavia porcellus | EC50 | = | 3630.78 | nM | 5.44 | Inhibition of spontaneous tone in guinea pig trachaelis | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80551-5 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)80551-5 | Cavia porcellus | 2 |
Data from ChEMBL 36 via Core Engine