Compound Detail
CHEMBL1567097
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Basic Information
| ChEMBL ID | CHEMBL1567097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHAIJGZQJXALAJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
3.22
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.19
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 6.19 | 6.19 | 639.0 | 1 |
| Nuclear receptor subfamily 0 group B member 1 CHEMBL1795094 | IC50 | 4.76 | 4.76 | 17554.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 639.0 | nM | 6.19 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Nuclear receptor subfamily 0 group B member 1 | IC50 | = | 17554.0 | nM | 4.76 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine