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Compound Detail

CHEMBL5779208

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CCCCNc1ncc2c(-c3ccc(F)cc3)cn(C3CCC(N)CC3)c2n1

Basic Information

ChEMBL ID CHEMBL5779208
Phase Preclinical
Structure Type MOL
InChI Key CWFMWJSSAAOUBO-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.89
ALogP
5
HBA
2
HBD
68.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28FN5
MW 381.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.00

Activity Summary

IC50 4 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 8.96 8.96 1.1 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 8.7 8.7 2.0 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 7.62 7.62 24.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.04 7.04 91.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine