Compound Detail
CHEMBL13801
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Basic Information
| ChEMBL ID | CHEMBL13801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCPZPWNACQTGGO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.18
ALogP
5
HBA
1
HBD
105.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 8.55 | 8.55 | 2.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 2.818 | nM | 8.55 | Negative logarithm of the molar concentration required to relax rat aorta precon... | - |
| Rattus norvegicus | EC50 | = | 2.818 | nM | 8.55 | Relaxation of rat aorta smooth muscle precontracted with 30 mM KCl (Negative log... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00007-G | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80298-X | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine