Compound Detail
CHEMBL337865
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CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)n2c1=O
Basic Information
| ChEMBL ID | CHEMBL337865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNFZINQSZYSEGF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
595.7
MW (Da)
6.94
ALogP
7
HBA
0
HBD
65.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 62.0 | nM | 7.21 | Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expres... | 11814807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814807 | 10.1016/s0960-894x(01)00780-6 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine