Compound Detail
CHEMBL1486690
PYRONIN Y Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1486690 |
| Name | PYRONIN Y |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INCIMLINXXICKS-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1622093 |
| Active Moiety | CHEMBL1622093 |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
2.64
ALogP
2
HBA
0
HBD
19.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.34
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.68 | 5.68 | 2085.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.34 | 5.34 | 4540.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.685 | 16800.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.51 | 4.39 | 30800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 2085.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| HEK293 | IC50 | = | 4540.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Unchecked | IC50 | = | 16800.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Unchecked | IC50 | = | 25500.0 | nM | 4.59 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 30800.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 53200.0 | nM | 4.27 | PUBCHEM_BIOASSAY: Dose Response validation of Inhibitors of Apaf-1 using a Fluor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18936189 | 10.1128/aac.00921-08 | Escherichia coli | 10 |
| 19770280 | 10.1128/aac.00748-09 | Acinetobacter baumannii | 4 |
| 19770280 | 10.1128/aac.00748-09 | Escherichia coli | 3 |
Data from ChEMBL 36 via Core Engine