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Compound Detail

CHEMBL5188834

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Cl.O=C1Nc2ccc(Cl)cc2/C1=C1/Nc2ccccc2/C1=N\OCC(=O)N1CCNCC1

Basic Information

ChEMBL ID CHEMBL5188834
Phase Preclinical
Structure Type MOL
InChI Key JLVMLKMIELQBRT-WCFRLSLOSA-N
Parent Compound CHEMBL5221833
Active Moiety CHEMBL5221833
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

437.9
MW (Da)
2.28
ALogP
6
HBA
3
HBD
95.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21Cl2N5O3
MW 474.35
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.70

Activity Summary

IC50 2 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 9.7 9.635 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35489222 10.1016/j.ejmech.2022.114356 Receptor-type tyrosine-protein kinase FLT3 2
35489222 10.1016/j.ejmech.2022.114356 MOLM-14 2
35489222 10.1016/j.ejmech.2022.114356 MV4-11 1

Data from ChEMBL 36 via Core Engine