Compound Detail
CHEMBL4640870
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Basic Information
| ChEMBL ID | CHEMBL4640870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBTGBSDLKRXUMQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
2.20
ALogP
10
HBA
0
HBD
83.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 3B CHEMBL6095 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 4.57 | 4.57 | 27200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 3B | IC50 | = | 13500.0 | nM | 4.87 | Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect ... | 32435413 |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 27200.0 | nM | 4.57 | Inhibition of human recombinant DNMT1 expressed in baculovirus infected insect c... | 32435413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435413 | 10.1021/acsmedchemlett.0c00011 | DNA (cytosine-5)-methyltransferase 1 | 1 |
| 32435413 | 10.1021/acsmedchemlett.0c00011 | DNA (cytosine-5)-methyltransferase 3B | 1 |
Data from ChEMBL 36 via Core Engine