Compound Detail
CHEMBL1427279
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Basic Information
| ChEMBL ID | CHEMBL1427279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPHWKSMAPBOQQE-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
3.80
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.43
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.43 | 5.8833 | 370.0 | 3 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 6.13 | 6.13 | 734.9 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.39 | 5.39 | 4090.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.32 | 5.32 | 4761.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 200.0 | nM | 6.7 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | IC50 | = | 370.0 | nM | 6.43 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Krueppel-like factor 5 | IC50 | = | 734.93 | nM | 6.13 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Unchecked | IC50 | = | 830.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| X-box-binding protein 1 | IC50 | = | 4090.0 | nM | 5.39 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Heat shock factor protein 1 | EC50 | = | 4761.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 7310.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
Data from ChEMBL 36 via Core Engine