Compound Detail
CHEMBL1415426
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Basic Information
| ChEMBL ID | CHEMBL1415426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDAKJOKHVHDECZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.37
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.77 | 5.305 | 1699.2 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.28 | 5.205 | 5203.4 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 1699.18 | nM | 5.77 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 5203.39 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 7395.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| Estrogen receptor beta | IC50 | = | 14441.69 | nM | 4.84 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 25300.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
Data from ChEMBL 36 via Core Engine