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Compound Detail

CHEMBL5282030

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N#C/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282030
Phase Preclinical
Structure Type MOL
InChI Key XZINYAZSRZTYPY-OWOJBTEDSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

265.2
MW (Da)
4.26
ALogP
1
HBA
0
HBD
23.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H5F6N
MW 265.16
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.49

Pharmacokinetic Data

Parameter Value Units Species
T1/2 4.0 hr -
T1/2 3.9 hr -

Literature References

PubMed DOI Target Context # Activities
32971426 10.1016/j.ejmech.2020.112836 No relevant target 4
32971426 10.1016/j.ejmech.2020.112836 Tyrosine-protein kinase JAK3 2
32971426 10.1016/j.ejmech.2020.112836 Tyrosine-protein kinase BTK 1
32971426 10.1016/j.ejmech.2020.112836 Mitogen-activated protein kinase 1 1
32971426 10.1016/j.ejmech.2020.112836 Ribosomal protein S6 kinase alpha-3 1
32971426 10.1016/j.ejmech.2020.112836 Dual specificity mitogen-activated protein kinase kinase 4 1
32971426 10.1016/j.ejmech.2020.112836 Maternal embryonic leucine zipper kinase 1

Data from ChEMBL 36 via Core Engine