Compound Detail
CHEMBL3668010
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CN(C(=O)c1ccc(Cl)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3668010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXEAJXIICFKZNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
3.37
ALogP
6
HBA
2
HBD
112.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 19.0 | nM | 7.72 | FLIPR Calcium Assay: Antagonizing effect of compounds for human GnRHR1 was evalu... | - |
Data from ChEMBL 36 via Core Engine