Compound Detail
CHEMBL431752
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Basic Information
| ChEMBL ID | CHEMBL431752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RENYMPDKUGZLFB-LCYFTJDESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
2.83
ALogP
6
HBA
0
HBD
98.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 5.95 | 5.95 | 1122.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.19 | 5.19 | 6456.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 1122.02 | nM | 5.95 | Inhibition of spontaneous tone in guinea pig trachaelis | - |
| Rattus norvegicus | EC50 | = | 6456.54 | nM | 5.19 | Spontaneous relaxant activity in rat aorta precontracted with 30 mM KCl | - |
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