Compound Detail
CHEMBL1725453
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Basic Information
| ChEMBL ID | CHEMBL1725453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAVKGVBCSWBESJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
301.2
MW (Da)
4.16
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.85 | 6.85 | 140.2 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.36 | 5.36 | 4404.0 | 1 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.33 | 5.33 | 4730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 140.16 | nM | 6.85 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| COUP transcription factor 2 | IC50 | = | 4404.0 | nM | 5.36 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Zinc finger protein GLI1 | IC50 | = | 4730.0 | nM | 5.33 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
Data from ChEMBL 36 via Core Engine