Compound Detail
CHEMBL68698
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COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4cc(OC)c(OC)c(OC)c4)c(=O)n3c2CN(C)CCc2ccccn2)cc1
Basic Information
| ChEMBL ID | CHEMBL68698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKPSNGHGHWKBOE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
677.8
MW (Da)
6.43
ALogP
10
HBA
0
HBD
92.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 370.0 | nM | 6.43 | Binding evaluated in cloned human Gonadotropin-releasing hormone receptor by dis... | 12127533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127533 | 10.1016/s0960-894x(02)00371-2 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine