Compound Detail
CHEMBL1300534
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Basic Information
| ChEMBL ID | CHEMBL1300534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQVJWKCKUMWPNS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
3.46
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 6.23 | 6.23 | 587.9 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.47 | 5.47 | 3359.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 587.9 | nM | 6.23 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3359.01 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Ephrin type-A receptor 4 | IC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
Data from ChEMBL 36 via Core Engine