Compound Detail
CHEMBL1371706
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Basic Information
| ChEMBL ID | CHEMBL1371706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSCHTKXZGZZBEI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
3.82
ALogP
6
HBA
0
HBD
41.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.3 | 5.3 | 4976.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.27 | 4.15 | 53460.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 2900.0 | nM | 5.54 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| COUP transcription factor 2 | IC50 | = | 4976.0 | nM | 5.3 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 53460.0 | nM | 4.27 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Unchecked | IC50 | = | 93700.0 | nM | 4.03 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Data from ChEMBL 36 via Core Engine