Compound Detail
CHEMBL3668012
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COc1ccc(F)cc1C(C)(C)Sc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL3668012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUBRGANQNDOUMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
4.75
ALogP
7
HBA
2
HBD
101.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 17.0 | nM | 7.77 | FLIPR Calcium Assay: Antagonizing effect of compounds for human GnRHR1 was evalu... | - |
Data from ChEMBL 36 via Core Engine