Compound Detail
CHEMBL131751
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Basic Information
| ChEMBL ID | CHEMBL131751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROZBCYWIZSLLCF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
4.69
ALogP
8
HBA
1
HBD
78.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 5.7 | 5.7 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 2000.0 | nM | 5.7 | The Compound was tested for the concentration to inhibit 50% of [125 I ]leuprore... | 9784092 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expre... | 16789738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784092 | 10.1021/jm9803673 | Gonadotropin-releasing hormone receptor | 2 |
| 16789738 | 10.1021/jm0512894 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine