Compound Detail
CHEMBL1521144
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Basic Information
| ChEMBL ID | CHEMBL1521144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDKCAGQJNLGYHF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.9
MW (Da)
4.15
ALogP
7
HBA
1
HBD
80.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.04 | 5.04 | 9120.0 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 5.0 | 5.0 | 9918.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 9120.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Estrogen receptor | EC50 | = | 9918.18 | nM | 5.0 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... | - |
Data from ChEMBL 36 via Core Engine