Compound Detail
CHEMBL377396
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
CNC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL377396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEVRFOQFAUPFAJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
628.8
MW (Da)
7.28
ALogP
6
HBA
2
HBD
83.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 10.15 | 9.95 | 0.1 | 3 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.07 | nM | 10.15 | Inhibition of LHRH-stimulated arachidonic acid release in CHO cells expressing h... | 16789738 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.1 | nM | 10.0 | Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expre... | 16789738 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.2 | nM | 9.7 | Inhibition of [125I]leuprorelin binding to monkey recombinant LHRH receptor expr... | 16789738 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibition of [125I]leuprorelin binding to rat anterior pituitary LHRH receptor | 16789738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789738 | 10.1021/jm0512894 | Gonadotropin-releasing hormone receptor | 5 |
Data from ChEMBL 36 via Core Engine