Compound Detail
CHEMBL97196
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Basic Information
| ChEMBL ID | CHEMBL97196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQVILGHAVGQHRP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
278.3
MW (Da)
2.79
ALogP
3
HBA
0
HBD
60.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.61 | 7.61 | 24.6 | 2 |
| Canis familiaris CHEMBL373 | EC50 | 6.65 | 6.65 | 222.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 24.55 | nM | 7.61 | Negative logarithm of the molar concentration required to relax rat aorta precon... | - |
| Rattus norvegicus | EC50 | = | 24.55 | nM | 7.61 | Negative logarithm of the molar concentration required to relax rat aorta precon... | - |
| Canis familiaris | EC50 | = | 222.0 | nM | 6.65 | The compound was tested for its relaxation activity on smooth muscle of canine m... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80836-2 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)80835-0 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)81226-9 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine