Compound Detail
CHEMBL1393131
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 | CHEMBL1393131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZLBRWWWEBHEDO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.1
MW (Da)
3.96
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.86 | 5.86 | 1382.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.01 | 5.01 | 9818.6 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.0 | 5.0 | 9960.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.91 | 4.91 | 12200.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.32 | 4.32 | 47639.8 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.09 | 4.09 | 81860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 1382.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Estrogen receptor beta | IC50 | = | 9818.59 | nM | 5.01 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Cysteine protease ATG4B | IC50 | = | 9960.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Phospholipase A2 | IC50 | = | 12200.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Estrogen receptor | IC50 | = | 47639.82 | nM | 4.32 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Bifunctional protein GlmU | IC50 | = | 81860.0 | nM | 4.09 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine