Compound Detail
CHEMBL192135
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CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C
Basic Information
| ChEMBL ID | CHEMBL192135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUNHRXZPYDMERZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
7.45
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | IC50 | 8.4 | 7.9833 | 4.0 | 3 |
| Follicle-stimulating hormone receptor CHEMBL4288 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibition of maximum response on CHO-K1 cells expressing human Follicl... | 15771412 |
| Follicle-stimulating hormone receptor | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibition of maximum response evoked by cAMP on CHO-K1 cells expressin... | 15771412 |
| Follicle-stimulating hormone receptor | IC50 | = | 28.0 | nM | 7.55 | In vitro inhibition of maximum response on CHO-K1 cells expressing human Follicl... | 15771412 |
| Follicle-stimulating hormone receptor | IC50 | = | 540.0 | nM | 6.27 | In vitro inhibition against maximum response evoked by cAMP in rat GFSHR-17 gran... | 15771412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771412 | 10.1021/jm049676l | Follicle-stimulating hormone receptor | 5 |
| 15771412 | 10.1021/jm049676l | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine