Compound Detail
CHEMBL1323422
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Basic Information
| ChEMBL ID | CHEMBL1323422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMPWPSTVTPCAGQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
2.53
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.64 | 6.5567 | 230.0 | 3 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.05 | 5.05 | 8919.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 230.0 | nM | 6.64 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... | - |
| Unchecked | EC50 | = | 278.0 | nM | 6.56 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Unchecked | EC50 | = | 342.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 8919.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
Data from ChEMBL 36 via Core Engine