Compound Detail
CHEMBL365001
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COc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1
Basic Information
| ChEMBL ID | CHEMBL365001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBOFLUMIUBFFIE-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
5.22
ALogP
9
HBA
2
HBD
104.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 42.0 | nM | 7.38 | Binding affinity towards cloned human Gonadotropin-releasing hormone receptor ex... | 15341961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341961 | 10.1016/j.bmcl.2004.07.022 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine