Compound Detail
CHEMBL1884207
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CC(=O)OCC1OC(n2c(S)c(C#N)c(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL1884207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCLBRSHSHHATBT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.6
MW (Da)
1.80
ALogP
14
HBA
1
HBD
184.0
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.3 | 6.3 | 502.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 502.85 | nM | 6.3 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
Data from ChEMBL 36 via Core Engine