Compound Detail
CHEMBL135103
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL135103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQIABJAVEVBDFW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.7
MW (Da)
6.87
ALogP
7
HBA
0
HBD
60.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.22 | 8.22 | 6.0 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
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 | The Compound was tested for the concentration to inhibit 50% of [125 I ]leuprore... | 9784092 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expre... | 16789738 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 800.0 | nM | 6.1 | The compound was tested for the concentration to inhibit 50% of [125 I]leuprorel... | 9784092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784092 | 10.1021/jm9803673 | Gonadotropin-releasing hormone receptor | 2 |
| 16789738 | 10.1021/jm0512894 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine