Compound Detail
CHEMBL1204379
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CC[C@H]1C(=O)N(CCN(C)C)c2cccc(C(F)(F)F)c2C[C@H]1c1ccc(OC)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL1204379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNWGFUAAJWKFSD-VOMIJIAVSA-N |
| Parent Compound | CHEMBL349193 |
| Active Moiety | CHEMBL349193 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.97
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 12.0 | nM | 7.92 | 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 | 3 |
| 1542103 | 10.1021/jm00082a019 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine