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Compound Detail

CHEMBL3288855

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Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCCCC1

Basic Information

ChEMBL ID CHEMBL3288855
Phase Preclinical
Structure Type MOL
InChI Key YYZXZBUBMJOSPR-AQTBWJFISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
4.08
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27FN4O2
MW 410.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MV4-11
CHEMBL613835
IC50 7.47 7.47 33.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MV4-11 IC50 = 33.7 nM 7.47 Antiproliferative activity against human MV4-11 cells harboring FLT3 ITD mutant ... 28038328

Literature References

Data from ChEMBL 36 via Core Engine