Compound Detail
CHEMBL1446412
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Basic Information
| ChEMBL ID | CHEMBL1446412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMGIGDNDRCSVQI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.3
MW (Da)
5.00
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.29 | 6.29 | 512.9 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.29 | 5.29 | 5148.0 | 1 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.1 | 5.1 | 7970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 512.94 | nM | 6.29 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| COUP transcription factor 2 | IC50 | = | 5148.0 | nM | 5.29 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Zinc finger protein GLI1 | IC50 | = | 7970.0 | nM | 5.1 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
Data from ChEMBL 36 via Core Engine