Compound Detail
CHEMBL1203797
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CCC[C@H]1C(=O)N(CCN(C)C)c2ccc(C(F)(F)F)cc2C[C@H]1c1ccc(OC)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL1203797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBEGQEOJNQFADD-NSLUPJTDSA-N |
| Parent Compound | CHEMBL165268 |
| Active Moiety | CHEMBL165268 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
5.36
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 1200.0 | nM | 5.92 | In vitro evaluation for the vasorelaxant effects in circumferential strips of po... | 1542103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1542103 | 10.1021/jm00082a019 | NON-PROTEIN TARGET | 4 |
| 1542103 | 10.1021/jm00082a019 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine