Compound Detail
CHEMBL4280124
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Basic Information
| ChEMBL ID | CHEMBL4280124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAWULIAMMOOOQW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
4.62
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Ki 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 6.59 | 6.59 | 254.0 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 254.0 | nM | 6.59 | Antagonist activity at N-terminal FLAG-tagged human full-length GnRHR expressed ... | 30108717 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 12589.25 | nM | 4.9 | Antagonist activity at N-terminal FLAG-tagged human full-length GnRHR expressed ... | 30108717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108717 | 10.1039/C7MD00320J | Gonadotropin-releasing hormone receptor | 2 |
| 30108717 | 10.1039/C7MD00320J | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine