Compound Detail
CHEMBL5423431
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C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCN4CCOCC4)c3)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5423431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVKGWIMIIHYNGU-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
3.48
ALogP
7
HBA
2
HBD
91.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein ENL CHEMBL4295801 | IC50 | 7.84 | 7.84 | 14.5 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 4.4 | 4.4 | 39600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein ENL | IC50 | = | 14.5 | nM | 7.84 | Inhibition of C-terminal 6xHis-tagged ENL YEATS domain (1 to 148 residues) (unkn... | 36645983 |
| MOLM-13 | IC50 | = | 39600.0 | nM | 4.4 | Antiproliferative activity against human MOLM-13 cells assessed as inhibition of... | 36645983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36645983 | 10.1016/j.ejmech.2023.115093 | Protein ENL | 8 |
| 36645983 | 10.1016/j.ejmech.2023.115093 | MOLM-13 | 2 |
Data from ChEMBL 36 via Core Engine