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Compound Detail

CHEMBL2347410

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Cn1nc(-c2cnc3[nH]cc(C(=O)NC4COCC(N)C4)c3n2)c2ccc(F)cc21

Basic Information

ChEMBL ID CHEMBL2347410
Phase Preclinical
Structure Type MOL
InChI Key SFPNGRVNEZGBGX-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
1.50
ALogP
7
HBA
3
HBD
123.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20FN7O2
MW 409.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.14

Activity Summary

IC50 3 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 7.21 6.41 61.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23350847 10.1021/jm301720p Tyrosine-protein kinase SYK 3
23350847 10.1021/jm301720p Liver microsomes 2
23350847 10.1021/jm301720p Cytochrome P450 3A4 1
23350847 10.1021/jm301720p No relevant target 1

Data from ChEMBL 36 via Core Engine