Compound Detail
CHEMBL2005973
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Basic Information
| ChEMBL ID | CHEMBL2005973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTKJNYPWSRXMMI-OPEKNORGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.9
MW (Da)
3.93
ALogP
7
HBA
3
HBD
121.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.73 | 5.175 | 1860.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.43 | 5.43 | 3737.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 1860.0 | nM | 5.73 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3737.53 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| SUMO-activating enzyme | IC50 | = | 24070.0 | nM | 4.62 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine