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Compound Detail

CHEMBL3426268

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Nc1nccc(-c2cn(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(Br)cc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3426268
Phase Preclinical
Structure Type MOL
InChI Key BGKBKWMFXHWIDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

565.3
MW (Da)
5.72
ALogP
6
HBA
1
HBD
90.9
PSA (Ų)
0.32
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H11BrF6N4O2S
MW 565.29
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
26005918 10.1016/j.ejmech.2015.05.020 Plasmodium falciparum 2
26005918 10.1016/j.ejmech.2015.05.020 No relevant target 1
26048785 10.1016/j.bmcl.2015.05.034 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
26048785 10.1016/j.bmcl.2015.05.034 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine