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Compound Detail

CHEMBL3360345

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COc1ccc(-c2cc(C(F)(F)F)cn3nc(NC(=O)C4CC4)nc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360345
Phase Preclinical
Structure Type MOL
InChI Key CZJFIIBCGOBACK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.3
MW (Da)
3.77
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.75
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 C18H15F3N4O2
MW 376.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
25369270 10.1021/jm501262q Tyrosine-protein kinase JAK1 1

Data from ChEMBL 36 via Core Engine