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Compound Detail

CHEMBL5276000

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CC(C)(C)OC(=O)N/N=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5276000
Phase Preclinical
Structure Type MOL
InChI Key MDFHMUSZQYDMJW-YXSASFKJSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
4.58
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14F6N2O2
MW 356.27
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.36

Pharmacokinetic Data

Parameter Value Units Species
T1/2 72.0 hr -
T1/2 7.6 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