Compound Detail
CHEMBL1577902
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Basic Information
| ChEMBL ID | CHEMBL1577902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWQRMNHUGKWBQW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.16
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | EC50 | 6.64 | 6.64 | 229.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.29 | 5.29 | 5181.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 1-alpha/beta | EC50 | = | 229.0 | nM | 6.64 | PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT1 activation. (C... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 5181.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
Data from ChEMBL 36 via Core Engine