Compound Detail
CHEMBL432420
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CCOP(=O)(CN(c1ccc(F)cc1)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O)OCC
Basic Information
| ChEMBL ID | CHEMBL432420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGOMLWGDNYLWFU-FCHUYYIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
5.00
ALogP
7
HBA
1
HBD
92.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 47000.0 | nM | 4.33 | Vasorelaxant potency determined by measurement of IC50 value for relaxation of r... | 9016325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016325 | 10.1021/jm9605905 | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine