Compound Detail
CHEMBL360363
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Cc1c(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Basic Information
| ChEMBL ID | CHEMBL360363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWUBKTSOKMYJPQ-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
590.6
MW (Da)
5.12
ALogP
10
HBA
2
HBD
138.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 160.0 | nM | 6.8 | Binding affinity towards cloned human Gonadotropin-releasing hormone receptor ex... | 15341961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341961 | 10.1016/j.bmcl.2004.07.022 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine