Compound Detail
CHEMBL1462713
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Basic Information
| ChEMBL ID | CHEMBL1462713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAHFVOHJAPTOMZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.10
ALogP
7
HBA
0
HBD
81.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.75 | 6.75 | 176.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 6.0 | 6.0 | 997.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 5.29 | 5.29 | 5170.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 CHEMBL2095161 | EC50 | 5.14 | 5.14 | 7254.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 5.1 | 5.1 | 7892.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 176.0 | nM | 6.75 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 997.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 5170.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 | EC50 | = | 7254.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 7892.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
Data from ChEMBL 36 via Core Engine