Compound Detail
CHEMBL211731
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CCC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C(=O)NC(C)C)cn3Cc2c(F)cccc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL211731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOSUFTVXIKYDQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
642.8
MW (Da)
7.18
ALogP
6
HBA
2
HBD
83.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 8.0 | nM | 8.1 | Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expre... | 16789738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789738 | 10.1021/jm0512894 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine