Compound Detail
CHEMBL1446626
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Basic Information
| ChEMBL ID | CHEMBL1446626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKUSZXBUCCKGBB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
5.40
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.81 | 5.245 | 1540.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.6 | 5.6 | 2510.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.43 | 5.43 | 3700.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 1540.0 | nM | 5.81 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 2510.0 | nM | 5.6 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3700.27 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| SUMO-activating enzyme | IC50 | = | 20750.0 | nM | 4.68 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine