Compound Detail
CHEMBL4284586
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Basic Information
| ChEMBL ID | CHEMBL4284586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNTRPHSROSAPKH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
3.21
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arsenite methyltransferase CHEMBL4295950 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arsenite methyltransferase | IC50 | = | 13600.0 | nM | 4.87 | Inhibition of human AS3MT using NaAsO2 as substrate preincubated for 30 minutes ... | 30170942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30170942 | 10.1016/j.bmcl.2018.08.012 | Arsenite methyltransferase | 1 |
| 30170942 | 10.1016/j.bmcl.2018.08.012 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
| 30170942 | 10.1016/j.bmcl.2018.08.012 | Histone-lysine N-methyltransferase NSD2 | 1 |
Data from ChEMBL 36 via Core Engine