Compound Detail
CHEMBL1890961
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Basic Information
| ChEMBL ID | CHEMBL1890961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWBYKWLHLZKMKF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
1.11
ALogP
3
HBA
0
HBD
37.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.56 | 5.325 | 2732.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 1870.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 2732.0 | nM | 5.56 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 8096.0 | nM | 5.09 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
Data from ChEMBL 36 via Core Engine