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Compound Detail

CHEMBL5833192

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Clc1cc(Cl)cc(Nc2ncc(-c3cnn(C4CCNCC4)c3)c(NC3CCNCC3)n2)c1

Basic Information

ChEMBL ID CHEMBL5833192
Phase Preclinical
Structure Type MOL
InChI Key HZRWXAYRYYKKBH-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

487.4
MW (Da)
4.48
ALogP
8
HBA
4
HBD
91.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28Cl2N8
MW 487.44
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.21

Activity Summary

IC50 3 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 8.74 8.74 1.8 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 7.5 7.5 32.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine