Compound Detail
CHEMBL580421
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL580421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAQXWJQSUXZVIP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
2.05
ALogP
3
HBA
1
HBD
66.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A CHEMBL1795176 | IC50 | 6.16 | 6.16 | 700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A | IC50 | = | 700.0 | nM | 6.16 | Inhibition of N-terminal His6-tagged human SETD8 (191 to 352) assessed as incorp... | 25406853 |
| N-lysine methyltransferase KMT5A | IC50 | = | 700.0 | nM | 6.16 | Inhibition of N-terminal His6-tagged human SETD8 (191 to 352 residues) expressed... | 27528434 |
| N-lysine methyltransferase KMT5A | IC50 | = | 700.0 | nM | 6.16 | Inhibition of SETD8 (unknown origin) | 36528996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 27528434 | 10.1016/j.bmcl.2016.08.004 | N-lysine methyltransferase KMT5A | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 25406853 | 10.1021/jm501234a | N-lysine methyltransferase KMT5A | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36528996 | 10.1016/j.ejmech.2022.115028 | N-lysine methyltransferase KMT5A | 1 |
Data from ChEMBL 36 via Core Engine