Compound Detail
CHEMBL1365170
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Basic Information
| ChEMBL ID | CHEMBL1365170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGUSBXJCUKGJCC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
252.7
MW (Da)
3.91
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.2 | 5.2 | 6272.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 4.75 | 4.75 | 17872.6 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.59 | 4.59 | 25495.0 | 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 | = | 6272.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Estrogen receptor beta | IC50 | = | 17872.59 | nM | 4.75 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 25495.0 | nM | 4.59 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
Data from ChEMBL 36 via Core Engine