Compound Detail
CHEMBL47838
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CCCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL47838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWFCTQZHNQAEPL-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
5.34
ALogP
5
HBA
0
HBD
68.3
PSA (Ų)
0.32
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | EC50 | = | 900.0 | nM | 6.05 | Agonistic activity against human follicle stimulating hormone receptor in CHO-hF... | 15026057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026057 | 10.1016/j.bmcl.2004.01.043 | Follicle-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine