Compound Detail
CHEMBL45639
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CCNC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1
Basic Information
| ChEMBL ID | CHEMBL45639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYALTDDNSLWUIH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
560.8
MW (Da)
5.73
ALogP
4
HBA
4
HBD
103.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 8.22 | 6.92 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of [125I]buserelin binding to rat pituitary Gonadotropin-releasing ho... | 11425546 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 2400.0 | nM | 5.62 | 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 | 2 |
Data from ChEMBL 36 via Core Engine