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Compound Detail

CHEMBL5285568

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CN1CCN(c2ccc(Nc3ccc4ncc(=O)n(-c5ccc(N)cc5)c4n3)nc2)CC1

Basic Information

ChEMBL ID CHEMBL5285568
Phase Preclinical
Structure Type MOL
InChI Key NWFBBZBKFUGWBG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
2.25
ALogP
9
HBA
2
HBD
105.2
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 C23H24N8O
MW 428.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.23

Activity Summary

IC50 2 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.6 5.39 2537.0 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