Compound Detail
CHEMBL1448985
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Basic Information
| ChEMBL ID | CHEMBL1448985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNWLIGGQZQMFPW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
5.12
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.59 | 5.59 | 2590.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.5 | 5.5 | 3161.8 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 1050.0 | nM | 5.98 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Estrogen receptor beta | IC50 | = | 2589.96 | nM | 5.59 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3161.79 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Ephrin type-A receptor 4 | IC50 | = | 21300.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
Data from ChEMBL 36 via Core Engine