Compound Detail
CHEMBL3414633
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Basic Information
| ChEMBL ID | CHEMBL3414633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDYDEJYIVZNWQU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.8
MW (Da)
3.91
ALogP
5
HBA
2
HBD
109.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| DNA (cytosine-5)-methyltransferase 3A CHEMBL1992 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells ... | 25406944 |
| DNA (cytosine-5)-methyltransferase 3A | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells... | 25406944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25406944 | 10.1021/jm500843d | DNA (cytosine-5)-methyltransferase 3A | 1 |
| 25406944 | 10.1021/jm500843d | DNA (cytosine-5)-methyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine