Compound Detail
CHEMBL2355112
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O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1
Basic Information
| ChEMBL ID | CHEMBL2355112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQGQLVSRILUHSV-IPMKNSEASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
3.37
ALogP
7
HBA
3
HBD
100.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.4 | 6.4 | 400.3 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.27 | 5.27 | 5347.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 400.33 | nM | 6.4 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| COUP transcription factor 2 | IC50 | = | 5347.0 | nM | 5.27 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine