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Compound Detail

CHEMBL3288858

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Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CN1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288858
Phase Preclinical
Structure Type MOL
InChI Key BZBSWDAIVUUGGR-BOPFTXTBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
2.45
ALogP
4
HBA
3
HBD
80.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26FN5O2
MW 411.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MV4-11
CHEMBL613835
 IC50 7.42 7.42 38.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MV4-11 IC50 = 38.5 nM 7.42 Antiproliferative activity against human MV4-11 cells harboring FLT3 ITD mutant ... 28038328

Literature References

PubMed DOI Target Context # Activities
24904961 10.1016/j.ejmech.2014.05.051 Mus musculus 5
24904961 10.1016/j.ejmech.2014.05.051 Aorta 2
28038328 10.1016/j.ejmech.2016.12.038 MV4-11 1

Data from ChEMBL 36 via Core Engine