Compound Detail
CHEMBL3414625
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Basic Information
| ChEMBL ID | CHEMBL3414625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CANBMWXJDLUDFF-GZTJUZNOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.30
ALogP
5
HBA
0
HBD
59.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A CHEMBL1795176 | IC50 | 6.3 | 6.3 | 500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A | IC50 | = | 500.0 | nM | 6.3 | Inhibition of N-terminal His6-tagged human SETD8 (191 to 352) assessed as incorp... | 25406853 |
| N-lysine methyltransferase KMT5A | IC50 | = | 500.0 | nM | 6.3 | Inhibition of N-terminal His6-tagged human SETD8 (191 to 352 residues) expressed... | 27528434 |
| N-lysine methyltransferase KMT5A | IC50 | = | 500.0 | nM | 6.3 | Inhibition of SETD8 (unknown origin) | 36528996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27528434 | 10.1016/j.bmcl.2016.08.004 | N-lysine methyltransferase KMT5A | 2 |
| 25406853 | 10.1021/jm501234a | N-lysine methyltransferase KMT5A | 1 |
| 36528996 | 10.1016/j.ejmech.2022.115028 | N-lysine methyltransferase KMT5A | 1 |
Data from ChEMBL 36 via Core Engine