Compound Detail
CHEMBL540109
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CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)Cc3ccccc3)c2c1=O.Cl
Basic Information
| ChEMBL ID | CHEMBL540109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRJYAKWKSLCTMR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190107 |
| Active Moiety | CHEMBL1190107 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
643.8
MW (Da)
7.46
ALogP
7
HBA
1
HBD
80.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.2 | nM | 9.7 | 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