Compound Detail
CHEMBL195321
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COc1ccc(CCNC(=O)c2ccc3c(c2)C(C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL195321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRYZMVUWQKWISQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.51
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | IC50 | 5.73 | 5.73 | 1880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | IC50 | = | 1880.0 | nM | 5.73 | In vitro inhibition of maximum response on CHO-K1 cells expressing human Follicl... | 15771412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771412 | 10.1021/jm049676l | Follicle-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine