Compound Detail
CHEMBL1346456
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Basic Information
| ChEMBL ID | CHEMBL1346456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFECGRRPIZBKMD-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.43
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.71 | 5.71 | 1947.1 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.54 | 5.2 | 2890.0 | 2 |
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 CHEMBL3885630 | IC50 | 4.45 | 4.45 | 35207.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.4 | 4.4 | 39620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human APE1 using a 5'-TAMRA labelled THF abasic site double-strand... | 28161249 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1947.1 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| SUMO-activating enzyme | IC50 | = | 2890.0 | nM | 5.54 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 13920.0 | nM | 4.86 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 | IC50 | = | 35207.0 | nM | 4.45 | PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f... | - |
| Unchecked | IC50 | = | 39620.0 | nM | 4.4 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28161249 | 10.1016/j.bmc.2017.01.028 | DNA repair nuclease/redox regulator APEX1 | 1 |
Data from ChEMBL 36 via Core Engine