Compound Detail
CHEMBL1363824
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 | CHEMBL1363824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBSRXMMJHDMLKI-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.1
MW (Da)
3.53
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.59
EC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | EC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.59 | 5.59 | 2580.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.04 | 5.04 | 9080.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.28 | 4.24 | 53000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 | EC50 | = | 1030.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Fluorescence Polarization Dose Response Assay for TR3-Based Bc... | - |
| Cysteine protease ATG4B | IC50 | = | 2580.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Phospholipase A2 | IC50 | = | 9080.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 12900.0 | nM | 4.89 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 53000.0 | nM | 4.28 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 63500.0 | nM | 4.2 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
Data from ChEMBL 36 via Core Engine