Compound Detail
CHEMBL5183439
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Basic Information
| ChEMBL ID | CHEMBL5183439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAGMSQLTELEUSP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.4
MW (Da)
4.84
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Kd 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 10.0 | 10.0 | 0.1 | 1 |
| Histone-lysine N-methyltransferase 2A CHEMBL1293299 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.1 | nM | 10.0 | Binding affinity to human N-terminal His-SUMO tagged WDR5 (22 to 334 residues) e... | 34283608 |
| Histone-lysine N-methyltransferase 2A | IC50 | = | 20.0 | nM | 7.7 | Inhibition of MLL1 (unknown origin) histone methyltransferase activity | 34283608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34283608 | 10.1021/acs.jmedchem.1c00037 | Unchecked | 5 |
| 34283608 | 10.1021/acs.jmedchem.1c00037 | Histone-lysine N-methyltransferase 2A | 1 |
| 34283608 | 10.1021/acs.jmedchem.1c00037 | MV4-11 | 1 |
| 34283608 | 10.1021/acs.jmedchem.1c00037 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine