Compound Detail
CHEMBL4557848
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Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4557848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLTUYQPTAZNZMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
497.4
MW (Da)
5.71
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.47
Kd 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 10.52 | 10.52 | 0.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | Kd | = | 0.03 | nM | 10.52 | Competitive inhibition of human N-terminal His6-SUMO tagged WDR5 (22 to 334 resi... | 31858797 |
| Unchecked | IC50 | = | 3.4 | nM | 8.47 | Inhibition of human N-terminal His-tagged MLL1 complex (MLL1/Ash2L/RbBP5/WDR5/DP... | 31858797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31858797 | 10.1021/acs.jmedchem.9b01608 | Unchecked | 2 |
| 31858797 | 10.1021/acs.jmedchem.9b01608 | MV4-11 | 1 |
| 31858797 | 10.1021/acs.jmedchem.9b01608 | MOLM-13 | 1 |
| 31858797 | 10.1021/acs.jmedchem.9b01608 | K562 | 1 |
| 31858797 | 10.1021/acs.jmedchem.9b01608 | WD repeat-containing protein 5 | 1 |
Data from ChEMBL 36 via Core Engine