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Compound Detail

CHEMBL2426222

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CN(C)C(=O)c1cnc(NCCN)nc1Nc1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426222
Phase Preclinical
Structure Type MOL
InChI Key BNEFTUWDOUEIHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
2.31
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19F3N6O
MW 368.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
23917087 10.1016/j.ejmech.2013.04.070 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine