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Compound Detail

CHEMBL5913672

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Cc1ccccc1Nc1ncc(-c2cnn(C)c2)c(Nc2ccc3c(c2)CNCC3)n1

Basic Information

ChEMBL ID CHEMBL5913672
Phase Preclinical
Structure Type MOL
InChI Key UJWRSOWRAQFHKF-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.32
ALogP
7
HBA
3
HBD
79.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N7
MW 411.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.50

Activity Summary

IC50 3 meas. best 9.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 9.47 9.47 0.3 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.07 6.07 860.0 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 5.9 5.9 1250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine