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Compound Detail

CHEMBL4637760

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C=CC(=O)Nc1cccc(Nc2nc(NNc3ccccc3)ncc2C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4637760
Phase Preclinical
Structure Type MOL
InChI Key PHJMJAMPVXOKEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
4.80
ALogP
6
HBA
4
HBD
91.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17F3N6O
MW 414.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
31843459 10.1016/j.bmc.2019.115236 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine