Compound Detail
CHEMBL1438842
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Basic Information
| ChEMBL ID | CHEMBL1438842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJKRTEBDWADQLS-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.56
ALogP
5
HBA
1
HBD
64.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.57
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 7.57 | 7.1367 | 27.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.615 | 210.0 | 2 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.62 | 6.62 | 241.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 27.0 | nM | 7.57 | PubChem BioAssay. SAR analysis of small molecule antagonists of Gli-SUFU in a lu... | - |
| Zinc finger protein GLI1 | IC50 | = | 37.8 | nM | 7.42 | PubChem BioAssay. SAR analysis of small molecule antagonists of Gli-SUFU in a lu... | - |
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific a... | - |
| Heat shock factor protein 1 | EC50 | = | 241.0 | nM | 6.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Zinc finger protein GLI1 | IC50 | = | 377.0 | nM | 6.42 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
Data from ChEMBL 36 via Core Engine