Compound Detail
CHEMBL211808
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CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(N)cc3)c(CN(C)Cc3ccccc3)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL211808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LITCGMRXTFPHQC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.7
MW (Da)
6.17
ALogP
7
HBA
1
HBD
77.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 40.0 | nM | 7.4 | 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