Compound Detail
CHEMBL297927
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CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1
Basic Information
| ChEMBL ID | CHEMBL297927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCIRPBHKMMHSSH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
603.8
MW (Da)
6.82
ALogP
5
HBA
3
HBD
100.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 9.52 | 8.2867 | 0.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.3 | nM | 9.52 | Inhibition of [125I]buserelin binding to rat pituitary Gonadotropin-releasing ho... | 11425546 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of [125I]buserelin binding to rat pituitary Gonadotropin-releasing ho... | 11425546 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition GnRH-stimulated luteinizing hormone (LH) release from rat pituitary c... | 11425546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425546 | 10.1016/s0960-894x(01)00274-8 | Gonadotropin-releasing hormone receptor | 3 |
Data from ChEMBL 36 via Core Engine