Compound Detail
CHEMBL296449
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CCCCCCCCN1C(=O)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL296449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKWAMGGZQCLTJI-SQJMNOBHSA-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)
0.34
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | EC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | EC50 | = | 68.0 | nM | 7.17 | 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