Compound Detail
CHEMBL1307028
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Basic Information
| ChEMBL ID | CHEMBL1307028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBEHDXHXRCBGAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
287.7
MW (Da)
3.36
ALogP
5
HBA
0
HBD
61.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.68 | 5.68 | 2105.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 5.18 | 5.18 | 6650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 2105.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Nucleic Acid | EC50 | = | 6650.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
Data from ChEMBL 36 via Core Engine