Compound Detail
CHEMBL47059
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CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL47059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDUJXQGQQJZZBB-IEWVHIKDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.8
MW (Da)
6.46
ALogP
3
HBA
0
HBD
60.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | EC50 | 7.85 | 7.655 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | EC50 | = | 14.0 | nM | 7.85 | Agonistic activity against human follicle stimulating hormone receptor in CHO-hF... | 15026057 |
| Follicle-stimulating hormone receptor | EC50 | = | 35.0 | nM | 7.46 | Agonistic activity in CHO-hFSHR cell-based cAMP accumulation assay | 15026057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026057 | 10.1016/j.bmcl.2004.01.043 | Follicle-stimulating hormone receptor | 3 |
Data from ChEMBL 36 via Core Engine