Compound Detail
CHEMBL1579464
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Basic Information
| ChEMBL ID | CHEMBL1579464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKSHCXSJTSFUFD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
4.31
ALogP
5
HBA
0
HBD
34.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 5.57 | 5.57 | 2680.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.47 | 5.47 | 3385.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.4 | 5.4 | 3948.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 5.09 | 5.09 | 8088.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.46 | 4.46 | 34303.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 2680.0 | nM | 5.57 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3385.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 3948.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 8088.0 | nM | 5.09 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Streptococcus | EC50 | = | 34303.0 | nM | 4.46 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine