Compound Detail
CHEMBL1362566
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Basic Information
| ChEMBL ID | CHEMBL1362566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEAFXEGZLCSZLA-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.59
ALogP
7
HBA
1
HBD
85.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.9
IC50 2 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.93 | 5.93 | 1169.4 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.45 | 5.45 | 3580.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.9 | 4.84 | 12506.0 | 2 |
| Large ribosomal subunit protein eL19A CHEMBL1741172 | EC50 | 4.86 | 4.86 | 13730.0 | 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 | = | 1169.4 | nM | 5.93 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Ephrin type-A receptor 4 | IC50 | = | 3580.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
| Unchecked | EC50 | = | 12506.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Large ribosomal subunit protein eL19A | EC50 | = | 13730.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
| Unchecked | EC50 | = | 16800.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine