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Compound Detail

CHEMBL5574019

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C=Cc1ccc(Nc2cccc(-c3cnc4cc(-c5cnn(C)c5)ccn34)n2)cc1

Basic Information

ChEMBL ID CHEMBL5574019
Phase Preclinical
Structure Type MOL
InChI Key OBHZPSTZYUPSHL-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
5.18
ALogP
6
HBA
1
HBD
60.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N6
MW 392.47
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.48

Activity Summary

IC50 3 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MOLM-14
CHEMBL3706570
IC50 8.36 7.8567 4.4 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38056299 10.1016/j.ejmech.2023.115977 MOLM-14 3
38056299 10.1016/j.ejmech.2023.115977 K562 1

Data from ChEMBL 36 via Core Engine