Compound Detail
CHEMBL1509500
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Basic Information
| ChEMBL ID | CHEMBL1509500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMLBYQMHNYDPLK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.1
MW (Da)
5.73
ALogP
10
HBA
1
HBD
91.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.36 | 7.36 | 43.4 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.68 | 4.68 | 20800.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.41 | 4.41 | 38800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 43.36 | nM | 7.36 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 20800.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 38800.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
Data from ChEMBL 36 via Core Engine