Compound Detail
CHEMBL89156
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Basic Information
| ChEMBL ID | CHEMBL89156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMQJMZOGGQQHOW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
2.17
ALogP
5
HBA
2
HBD
85.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.96 | 6.77 | 109.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 109.65 | nM | 6.96 | Negative logarithm of the molar concentration required to relax rat aorta precon... | - |
| Rattus norvegicus | EC50 | = | 263.03 | nM | 6.58 | Negative logarithm of the molar concentration required to relax rat aorta precon... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80729-0 | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine