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Compound Detail

CHEMBL5910352

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CC(C)n1cc(-c2cnc(Nc3ccccc3)nc2Nc2ccc3c(c2)CNCC3)cn1

Basic Information

ChEMBL ID CHEMBL5910352
Phase Preclinical
Structure Type MOL
InChI Key YNFPEISXYNRRFY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
5.05
ALogP
7
HBA
3
HBD
79.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N7
MW 425.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.21

Activity Summary

IC50 3 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 8.8 8.8 1.6 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.6 6.6 250.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.56 5.56 2730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine