Compound Detail
CHEMBL398583
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COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CN(Cc2ccccc2OC)CC3)c1
Basic Information
| ChEMBL ID | CHEMBL398583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEXHHDHUNIQRFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
519.5
MW (Da)
3.90
ALogP
7
HBA
0
HBD
65.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 980.0 | nM | 6.01 | Displacement of [125I]His5,D-Tyr6]GnRH from human cloned GnRH receptor transfect... | 17561404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17561404 | 10.1016/j.bmc.2007.05.029 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine