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Compound Detail

CHEMBL3578226

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Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3578226
Phase Preclinical
Structure Type MOL
InChI Key QWIGJPXZWRDMLB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
6.91
ALogP
4
HBA
2
HBD
68.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20FN3OS
MW 453.54
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
25923950 10.1021/acs.jmedchem.5b00140 Tyrosine-protein kinase Fyn 1

Data from ChEMBL 36 via Core Engine