Compound Detail
CHEMBL46994
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Basic Information
| ChEMBL ID | CHEMBL46994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEECSBIWYUBSKS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
2.80
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.38 | 6.3667 | 416.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 416.87 | nM | 6.38 | Negative logarithm of the molar concentration required to relax rat aorta precon... | - |
| Rattus norvegicus | EC50 | = | 416.87 | nM | 6.38 | Molar concentration required to relax rat aorta precontracted with 30 mM KCL by ... | - |
| Rattus norvegicus | EC50 | = | 457.09 | nM | 6.34 | Molar concentration required to relax rat aorta precontracted with 30 mM KCL by ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80037-2 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)80837-4 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine