Compound Detail
CHEMBL433409
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COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL433409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZJHZWDNNABIOE-PGRDOPGGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
3.88
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 150.0 | nM | 6.82 | In vitro evaluation for the vasorelaxant effects in circumferential strips of po... | 1542103 |
| Oryctolagus cuniculus | IC50 | = | 150.0 | nM | 6.82 | In vitro vasorelaxant activity in circumferential strips of potassium-depolarize... | 1635059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1635059 | 10.1021/jm00092a011 | Rattus norvegicus | 5 |
| 1542103 | 10.1021/jm00082a019 | NON-PROTEIN TARGET | 3 |
| 1542103 | 10.1021/jm00082a019 | Oryctolagus cuniculus | 1 |
| 1635059 | 10.1021/jm00092a011 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine