Compound Detail
CHEMBL5172154
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Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)NCCCN)cc3)ccc2N2CCN(C)CC2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL5172154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGLREAITVXTJOM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
553.1
MW (Da)
4.12
ALogP
6
HBA
4
HBD
116.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.13
Kd 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 7.87 | 7.87 | 13.6 | 1 |
| Histone-lysine N-methyltransferase 2A CHEMBL1293299 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | IC50 | = | 7.4 | nM | 8.13 | Binding affinity to WDR5 (unknown origin) fluorescence polarization assay | 34283608 |
| WD repeat-containing protein 5 | Kd | = | 13.6 | nM | 7.87 | Binding affinity to WDR5 (unknown origin) by isothermal titration calorimetry | 34283608 |
| Histone-lysine N-methyltransferase 2A | IC50 | = | 190.0 | nM | 6.72 | Inhibition of MLL1 (unknown origin) histone methyltransferase activity | 34283608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34283608 | 10.1021/acs.jmedchem.1c00037 | WD repeat-containing protein 5 | 2 |
| 34283608 | 10.1021/acs.jmedchem.1c00037 | MV4-11 | 1 |
| 34283608 | 10.1021/acs.jmedchem.1c00037 | Histone-lysine N-methyltransferase 2A | 1 |
Data from ChEMBL 36 via Core Engine