Compound Detail
CHEMBL180352
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cccc(-n2c(=O)n(CCN(C)CCc3ccccn3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL180352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNPRQFIYELNZSZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
2.07
ALogP
9
HBA
0
HBD
91.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 4200.0 | nM | 5.38 | 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