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Compound Detail

CHEMBL5911874

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CCCCNc1ncc2c(-c3ccc(C4(N5CCOCC5)CC4)cc3)cn(C3CCC(O)CC3)c2n1

Basic Information

ChEMBL ID CHEMBL5911874
Phase Preclinical
Structure Type MOL
InChI Key CREINZJAYXIGBI-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.7
MW (Da)
5.11
ALogP
7
HBA
2
HBD
75.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N5O2
MW 489.66
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.48

Activity Summary

IC50 4 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 8.77 8.77 1.7 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 8.72 8.72 1.9 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 6.8 6.8 157.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.61 6.61 245.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine