Compound Detail
CHEMBL1558192
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Basic Information
| ChEMBL ID | CHEMBL1558192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZGLGUGTQWIPDE-LDADJPATSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
5.63
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.37 | 5.37 | 4270.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.46 | 4.46 | 34400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4270.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 34400.0 | nM | 4.46 | PUBCHEM_BIOASSAY: Dose response validation of uHTS inhibitor hits from DNMT1 for... | - |
Data from ChEMBL 36 via Core Engine