Compound Detail
CHEMBL5723357
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Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NCCCN4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL5723357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIMZKQNHTPMNER-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4861912 |
| Active Moiety | CHEMBL4861912 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
614.1
MW (Da)
2.41
ALogP
10
HBA
3
HBD
133.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.94
IC50 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | IC50 | 8.07 | 8.07 | 8.6 | 1 |
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 7.94 | 7.94 | 11.6 | 1 |
| Histone-lysine N-methyltransferase 2A CHEMBL1293299 | Kd | 6.76 | 6.76 | 174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | IC50 | = | 8.6 | nM | 8.07 | Affinity Biochemical interaction: (Fluorescence-polarisation competition assay) ... | - |
| WD repeat-containing protein 5 | Kd | = | 11.6 | nM | 7.94 | Affinity Biochemical interaction: (ITC) EUB0002551aCl WDR5 | - |
| Histone-lysine N-methyltransferase 2A | Kd | = | 174.0 | nM | 6.76 | Affinity Biochemical interaction: (ITC) EUB0002551aCl MLL | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5723035 | WD repeat-containing protein 5 | 2 |
| - | 10.6019/CHEMBL5723035 | Histone-lysine N-methyltransferase 2A | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine