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Compound Detail

CHEMBL3426275

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COc1ccc(S(=O)(=O)n2cc(-c3ccnc(N)n3)c3ccccc32)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3426275
Phase Preclinical
Structure Type MOL
InChI Key JFURBRQFLBHXOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.93
ALogP
8
HBA
1
HBD
109.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4O4S
MW 410.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.89

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