Compound Detail
CHEMBL3605964
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Basic Information
| ChEMBL ID | CHEMBL3605964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUAQQWXZBQXKEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
2.52
ALogP
7
HBA
1
HBD
95.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 3A CHEMBL1992 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 3A | EC50 | = | 2100.0 | nM | 5.68 | Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay | 26220519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26220519 | 10.1016/j.bmc.2015.06.066 | DNA (cytosine-5)-methyltransferase 3A | 3 |
| 26220519 | 10.1016/j.bmc.2015.06.066 | DNA (cytosine-5)-methyltransferase 1 | 1 |
| 26220519 | 10.1016/j.bmc.2015.06.066 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine