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Compound Detail

CHEMBL5781552

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Cc1ccc(Nc2ncc(-c3ccoc3)c(NC3CCNCC3)n2)cc1

Basic Information

ChEMBL ID CHEMBL5781552
Phase Preclinical
Structure Type MOL
InChI Key GRFBBDXTNSXJQV-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.95
ALogP
6
HBA
3
HBD
75.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O
MW 349.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.79

Activity Summary

IC50 3 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.8 6.8 160.0 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 5.92 5.92 1200.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine