Compound Detail
CHEMBL1091209
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CC(C)(C)c1ccc(-c2cn3cccc(N4CCN(Cc5c[nH]c(=O)[nH]c5=O)CC4)c3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL1091209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XURGKEWTAREMQZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.00
ALogP
6
HBA
2
HBD
89.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.37 | 8.035 | 4.3 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 7.02 | 6.19 | 95.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 4.3 | nM | 8.37 | Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scinti... | 20236823 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 20.0 | nM | 7.7 | Antagonist activity at human recombinant GNRH receptor assessed as inhibition of... | 20236823 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 95.0 | nM | 7.02 | Displacement of [125I]D-Trp6-GnRH from rat recombinant GNRH receptor by scintill... | 20236823 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 4400.0 | nM | 5.36 | 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