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Compound Detail

CHEMBL5895995

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OCCn1cc(-c2cnc(Nc3cccc(Cl)c3)nc2Nc2ccc(C3CCNCC3)cc2)cn1

Basic Information

ChEMBL ID CHEMBL5895995
Phase Preclinical
Structure Type MOL
InChI Key IYNYCMYPORBQHO-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.0
MW (Da)
4.94
ALogP
8
HBA
4
HBD
99.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28ClN7O
MW 490.01
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.31

Activity Summary

IC50 3 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 8.89 8.89 1.3 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.82 6.82 150.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.63 5.63 2350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine