Compound Detail
CHEMBL1091580
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Basic Information
| ChEMBL ID | CHEMBL1091580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOAMDMFWAMZNGK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
5.56
ALogP
6
HBA
0
HBD
49.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 7.54 | 6.68 | 29.0 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.41 | 7.385 | 39.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 29.0 | nM | 7.54 | Displacement of [125I]D-Trp6-GnRH from rat recombinant GNRH receptor by scintill... | 20236823 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 39.0 | nM | 7.41 | Antagonist activity at human recombinant GNRH receptor assessed as inhibition of... | 20236823 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 44.0 | nM | 7.36 | Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scinti... | 20236823 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 1500.0 | nM | 5.82 | Antagonist activity at GNRH receptor in rat pituitary cells assessed as inhibiti... | 20236823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20236823 | 10.1016/j.bmcl.2010.02.099 | Gonadotropin-releasing hormone receptor | 4 |
Data from ChEMBL 36 via Core Engine