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Compound Detail

CHEMBL3426279

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COc1ccc(Br)cc1S(=O)(=O)n1cc(-c2ccnc(N)n2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3426279
Phase Preclinical
Structure Type MOL
InChI Key YRSAKVDURXJMBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

459.3
MW (Da)
3.69
ALogP
7
HBA
1
HBD
100.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15BrN4O3S
MW 459.33
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.06

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