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Compound Detail

CHEMBL5825621

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Cc1cc(C)cc(Nc2ncc(-c3cnn(CCO)c3)c(Nc3ccc4c(c3)CNCC4)n2)c1

Basic Information

ChEMBL ID CHEMBL5825621
Phase Preclinical
Structure Type MOL
InChI Key WWFNZSCHGGHKJA-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
4.08
ALogP
8
HBA
4
HBD
99.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N7O
MW 455.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.21

Activity Summary

IC50 3 meas. best 9.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 9.24 9.24 0.6 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.82 6.82 150.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.8 5.8 1580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine