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Compound Detail

CHEMBL1668887

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CSc1ccc(OCc2nc(Br)c(Br)n2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1668887
Phase Preclinical
Structure Type MOL
InChI Key LNZQZAQGCUVRRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.1
MW (Da)
4.25
ALogP
4
HBA
0
HBD
27.1
PSA (Ų)
0.73
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 C12H12Br2N2OS
MW 392.12
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
21211967 10.1016/j.bmcl.2010.12.040 No relevant target 2
21211967 10.1016/j.bmcl.2010.12.040 Trypanosoma brucei rhodesiense 1
21211967 10.1016/j.bmcl.2010.12.040 L6 1

Data from ChEMBL 36 via Core Engine