Compound Detail
CHEMBL1430309
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Basic Information
| ChEMBL ID | CHEMBL1430309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSDGALRULUIFBR-PDGQHHTCSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
3.28
ALogP
7
HBA
1
HBD
84.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.84 | 5.84 | 1442.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.15 | 7080.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.12 | 5.05 | 7590.0 | 2 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1442.57 | nM | 5.84 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 7080.0 | nM | 5.15 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| SUMO-activating enzyme | IC50 | = | 7590.0 | nM | 5.12 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 10560.0 | nM | 4.98 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Envelope glycoprotein gp160 | IC50 | = | 11800.0 | nM | 4.93 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine