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Compound Detail

CHEMBL5269119

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CC(Cl)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5269119
Phase Preclinical
Structure Type MOL
InChI Key CTMSTGZMZGUIBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

319.6
MW (Da)
4.29
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8ClF6NO
MW 319.63
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.23

Pharmacokinetic Data

Parameter Value Units Species
T1/2 72.0 hr -
T1/2 2.5 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