Compound Detail
CHEMBL1307317
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Basic Information
| ChEMBL ID | CHEMBL1307317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGQKTBJTMCIXBV-SFQUDFHCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.36
ALogP
8
HBA
1
HBD
88.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.93 | 5.58 | 1180.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.7 | 5.7 | 1982.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 1180.0 | nM | 5.93 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1982.84 | nM | 5.7 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| SUMO-activating enzyme | IC50 | = | 5900.0 | nM | 5.23 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine