Compound Detail
CHEMBL330834
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CC(C)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL330834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSYWKUSBTVKLIY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
636.8
MW (Da)
7.66
ALogP
7
HBA
1
HBD
59.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 88.0 | nM | 7.06 | Binding affinity towards human gonadotropin-releasing hormone receptor | 14505682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505682 | 10.1016/s0960-894x(03)00746-7 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine