Compound Detail
CHEMBL1482585
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O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL1482585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOKAEZHXFOZPJF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
568.6
MW (Da)
4.26
ALogP
9
HBA
2
HBD
164.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.35 | 5.35 | 4488.2 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.34 | 5.02 | 4590.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.23 | 5.23 | 5854.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6030.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-2 catalytic subunit | IC50 | = | 4488.23 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| SUMO-activating enzyme | IC50 | = | 4590.0 | nM | 5.34 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 5854.62 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 6030.0 | nM | 5.22 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Envelope glycoprotein gp160 | IC50 | = | 14500.0 | nM | 4.84 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| SUMO-activating enzyme | IC50 | = | 20070.0 | nM | 4.7 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine