Compound Detail
CHEMBL3414631
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Basic Information
| ChEMBL ID | CHEMBL3414631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQOQDGQKBCOTLV-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
1.09
ALogP
3
HBA
2
HBD
90.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells ... | 25406944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25801160 | 10.1016/j.bmc.2015.03.006 | DNA (cytosine-5)-methyltransferase 1 | 3 |
| 25406944 | 10.1021/jm500843d | DNA (cytosine-5)-methyltransferase 1 | 1 |
| 25801160 | 10.1016/j.bmc.2015.03.006 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine