Compound Detail
CHEMBL116074
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COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](Cc3ccccc3)N(C)C)c2=O)c1F
Basic Information
| ChEMBL ID | CHEMBL116074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMCFOVGLNPCZBV-NRFANRHFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
4.63
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 8.1 | 8.1 | 7.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 7.9 | nM | 8.1 | Binding affinity towards human gonadotropin releasing hormone receptor using des... | 15214774 |
| Gonadotropin-releasing hormone receptor | Ki | = | 7.9 | nM | 8.1 | Binding affinity for Human gonadotropin-releasing hormone receptor | 15715483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214774 | 10.1021/jm049791w | Gonadotropin-releasing hormone receptor | 1 |
| 15715483 | 10.1021/jm049218c | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine