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Compound Detail

CHEMBL5411777

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C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4nn(CCN)cc4c3)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411777
Phase Preclinical
Structure Type MOL
InChI Key JPYLGGZXGLMMIU-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.11
ALogP
6
HBA
3
HBD
104.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N7O
MW 417.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 7.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein ENL
CHEMBL4295801
 IC50 7.76 7.76 17.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein ENL IC50 = 17.2 nM 7.76 Inhibition of C-terminal 6xHis-tagged ENL YEATS domain (1 to 148 residues) (unkn... 36645983

Literature References

PubMed DOI Target Context # Activities
36645983 10.1016/j.ejmech.2023.115093 Protein ENL 4

Data from ChEMBL 36 via Core Engine