Compound Detail
CHEMBL121441
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CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)C(F)(F)F)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F
Basic Information
| ChEMBL ID | CHEMBL121441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPGYHGSWNRWLLD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
690.7
MW (Da)
7.34
ALogP
7
HBA
1
HBD
76.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 16.0 | nM | 7.8 | 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