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Compound Detail

CHEMBL5266530

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CN1CCN(c2ccc(Nc3ccc4ncc(=O)n(-c5ccc(N)cc5)c4n3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL5266530
Phase Preclinical
Structure Type MOL
InChI Key WHODDIAZXSMFAB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
2.86
ALogP
8
HBA
2
HBD
92.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N7O
MW 427.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.27

Activity Summary

IC50 2 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.42 5.3 3826.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36638621 10.1016/j.bmc.2023.117155 Receptor-type tyrosine-protein kinase FLT3 2

Data from ChEMBL 36 via Core Engine