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Compound Detail

CHEMBL3425697

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CN(C)CCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12

Basic Information

ChEMBL ID CHEMBL3425697
Phase Preclinical
Structure Type MOL
InChI Key ARMHCDAHKQVAOY-JLHYYAGUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.0
MW (Da)
5.97
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClN4
MW 416.96
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.94

Activity Summary

IC50 2 meas. best 5.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.76 5.76 1750.0 1
Cell division protein FtsZ
CHEMBL3999
IC50 4.19 4.19 65000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25815151 10.1021/ml500497s Cell division protein FtsZ 1
31614258 10.1016/j.ejmech.2019.111710 Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine