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Compound Detail

CHEMBL5752800

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N[C@H]1CC[C@@H](Nc2nc(Nc3cccc(Cl)c3)ncc2-c2cnn(CCO)c2)CC1

Basic Information

ChEMBL ID CHEMBL5752800
Phase Preclinical
Structure Type MOL
InChI Key ZPWHTTHPHDTDRY-CALCHBBNSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
3.41
ALogP
8
HBA
4
HBD
113.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN7O
MW 427.94
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.61

Activity Summary

IC50 3 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 8.62 8.62 2.4 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 8.48 8.48 3.3 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine