Compound Detail
CHEMBL1544743
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Basic Information
| ChEMBL ID | CHEMBL1544743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXHKYCUPYONBDS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
1.68
ALogP
6
HBA
0
HBD
101.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.25 | 6.245 | 560.0 | 2 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.48 | 5.48 | 3290.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.32 | 5.32 | 4754.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 560.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Unchecked | IC50 | = | 580.0 | nM | 6.24 | Cytotoxicity against human UM16 cells assessed as inhibition of cell growth | 34982568 |
| Zinc finger protein GLI1 | IC50 | = | 3290.0 | nM | 5.48 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| COUP transcription factor 2 | IC50 | = | 4754.0 | nM | 5.32 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34982568 | 10.1021/acs.jmedchem.1c01509 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine