Compound Detail
CHEMBL382617
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Basic Information
| ChEMBL ID | CHEMBL382617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZJYQGRMFVKPAP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
2.17
ALogP
6
HBA
0
HBD
60.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orphan methyltransferase M.SssI CHEMBL4373 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orphan methyltransferase M.SssI | IC50 | = | 400.0 | nM | 6.4 | Inhibition of recombinant CpG methylase M.SssI | 16420053 |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against DNA methyl transferase in leukemic NALM6 cells | 16420053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19691339 | 10.1021/jm900599v | No relevant target | 2 |
| 16420053 | 10.1021/jm050844z | DNA (cytosine-5)-methyltransferase 1 | 1 |
| 16420053 | 10.1021/jm050844z | Orphan methyltransferase M.SssI | 1 |
| 19691339 | 10.1021/jm900599v | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine