Compound Detail
CHEMBL448599
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Basic Information
| ChEMBL ID | CHEMBL448599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYERMCBKTCHIJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.3
MW (Da)
5.04
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 4.29 | 4.29 | 51500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 51500.0 | nM | 4.29 | Myorelaxant activity in potassium depolarized Wistar rat aorta rings assessed as... | 18406154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18406154 | 10.1016/j.bmc.2008.03.065 | Unchecked | 1 |
| 18406154 | 10.1016/j.bmc.2008.03.065 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine