Compound Detail
CHEMBL1433128
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1433128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FESYXZABNCGZDN-WJDWOHSUSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.82
ALogP
6
HBA
2
HBD
87.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.65
EC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.84 | 4.84 | 14350.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.65 | 4.65 | 22600.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.5 | 4.5 | 31820.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.34 | 4.34 | 45520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | EC50 | = | 14350.0 | nM | 4.84 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| Envelope glycoprotein gp160 | IC50 | = | 22600.0 | nM | 4.65 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Kappa-type opioid receptor | IC50 | = | 23200.0 | nM | 4.63 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Aminopeptidase N | IC50 | = | 31820.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Leucine aminopeptidase | IC50 | = | 45520.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
Data from ChEMBL 36 via Core Engine