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Compound Detail

CHEMBL3952825

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Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)cc1N

Basic Information

ChEMBL ID CHEMBL3952825
Phase Preclinical
Structure Type MOL
InChI Key FAIAXYWXOOBWCK-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
3.26
ALogP
8
HBA
2
HBD
93.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N7O
MW 401.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.79

Activity Summary

IC50 4 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 7.8 7.8 16.0 3
CD63 antigen
CHEMBL3713303
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine