Compound Detail
CHEMBL1359782
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
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1
Basic Information
| ChEMBL ID | CHEMBL1359782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZYQTYYVJNUVMW-MHWRWJLKSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.3
MW (Da)
3.11
ALogP
7
HBA
1
HBD
135.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.49
EC50 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.49 | 5.255 | 3203.2 | 2 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.22 | 4.935 | 6080.0 | 2 |
| Large ribosomal subunit protein eL19A CHEMBL1741172 | EC50 | 4.95 | 4.95 | 11160.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.75 | 4.75 | 17627.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3203.16 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| SUMO-activating enzyme | IC50 | = | 6080.0 | nM | 5.22 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 9601.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Large ribosomal subunit protein eL19A | EC50 | = | 11160.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
| Bcl-2-like protein 1 | IC50 | = | 17627.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
| SUMO-activating enzyme | IC50 | = | 22450.0 | nM | 4.65 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine