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Compound Detail

CHEMBL5280633

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COC(=O)C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5280633
Phase Preclinical
Structure Type MOL
InChI Key YEMFGKDMXCLAFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

296.2
MW (Da)
3.25
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H6F6O2
MW 296.17
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.40

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.3 hr -
T1/2 5.4 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