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Compound Detail

CHEMBL5740011

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Cc1cc(Nc2ncc(-c3cnn(CCO)c3)c(N[C@H]3CC[C@@H](N)CC3)n2)ccc1Cl

Basic Information

ChEMBL ID CHEMBL5740011
Phase Preclinical
Structure Type MOL
InChI Key GBYPCTVFSGFCSE-CALCHBBNSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.0
MW (Da)
3.72
ALogP
8
HBA
4
HBD
113.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28ClN7O
MW 441.97
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.66

Activity Summary

IC50 3 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 8.36 8.36 4.4 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 7.89 7.89 13.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine