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Compound Detail

CHEMBL5839005

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NC1CCC(Nc2nc(Nc3cc(F)cc(F)c3)ncc2-c2cnn(CCO)c2)CC1

Basic Information

ChEMBL ID CHEMBL5839005
Phase Preclinical
Structure Type MOL
InChI Key YOXIVEDZDMDJSA-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
3.04
ALogP
8
HBA
4
HBD
113.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25F2N7O
MW 429.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.51

Activity Summary

IC50 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 9.0 9.0 1.0 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 8.8 8.8 1.6 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine