Compound Detail
CHEMBL179953
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N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2ccc3nsnc3c2)c1=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL179953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFWBWPDCFNLQHE-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
2.19
ALogP
10
HBA
1
HBD
117.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 410.0 | nM | 6.39 | Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor... | 15664839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664839 | 10.1016/j.bmcl.2004.11.026 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine