Compound Detail
CHEMBL3414630
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Basic Information
| ChEMBL ID | CHEMBL3414630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWZDNWLBUVGUCZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.8
MW (Da)
6.37
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| DNMT3A2/3L complex CHEMBL3137291 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells ... | 25406944 |
| DNMT3A2/3L complex | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of His6-tagged human recombinant DNMT3A/DNMT3L expressed in insect Sf... | 25406944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25406944 | 10.1021/jm500843d | DNMT3A2/3L complex | 1 |
| 25406944 | 10.1021/jm500843d | DNA (cytosine-5)-methyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine