Compound Detail
CHEMBL260816
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COc1ccc(CN2CC3CC(c4ccc(N(C)C)c5ccccc45)N4C(=O)N(CCN5CCOCC5)C(=O)C34C2)cc1NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL260816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTDRBZFOIGWLQB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
640.8
MW (Da)
3.78
ALogP
8
HBA
1
HBD
97.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 21.0 | nM | 7.68 | Inhibition of GnRH receptor | 17920281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17920281 | 10.1016/j.bmc.2007.09.026 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine