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Compound Detail

CHEMBL5825584

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OCCn1cc(-c2cnc(Nc3cccc(F)c3)nc2Nc2ccc3c(c2)CNCC3)cn1

Basic Information

ChEMBL ID CHEMBL5825584
Phase Preclinical
Structure Type MOL
InChI Key XWAYWHRXNQJWEN-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.60
ALogP
8
HBA
4
HBD
99.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24FN7O
MW 445.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.46

Activity Summary

IC50 3 meas. best 9.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 9.44 9.44 0.4 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 9.38 9.38 0.4 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine