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Compound Detail

CHEMBL5903745

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CCCCNc1ncc2c(-c3ccc(NC4CCN(C)CC4)cc3)cn(C3CCC(O)CC3)c2n1

Basic Information

ChEMBL ID CHEMBL5903745
Phase Preclinical
Structure Type MOL
InChI Key CPNQAVXQGZKRMM-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.7
MW (Da)
5.29
ALogP
7
HBA
3
HBD
78.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N6O
MW 476.67
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.78

Activity Summary

IC50 4 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 8.28 8.28 5.3 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 8.12 8.12 7.6 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 7.35 7.35 45.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.11 7.11 77.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine