Compound Detail
CHEMBL3621702
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Basic Information
| ChEMBL ID | CHEMBL3621702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATTQPYMIPJMIJO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
4.33
ALogP
8
HBA
1
HBD
72.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A CHEMBL1795176 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of human SETD8 catalytic domain expressed in Escherichia coli assesse... | 25554733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25554733 | 10.1039/c4md00317a | N-lysine methyltransferase KMT5A | 1 |
Data from ChEMBL 36 via Core Engine