Compound Detail
CHEMBL1450119
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Basic Information
| ChEMBL ID | CHEMBL1450119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDOHCIHCVLOXNK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
2.85
ALogP
3
HBA
2
HBD
79.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.09 | 6.09 | 820.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.18 | 5.18 | 6562.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 4.53 | 4.53 | 29759.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 820.0 | nM | 6.09 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Heat shock factor protein 1 | EC50 | = | 6562.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 29759.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
Data from ChEMBL 36 via Core Engine