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Compound Detail

CHEMBL1797842

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COC(=O)c1sc(-c2ccccc2Br)nc1C(Br)Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1797842
Phase Preclinical
Structure Type MOL
InChI Key MBBVFSHERAUHPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.0
MW (Da)
5.15
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8Br3NO2S
MW 469.98
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
21612931 10.1016/j.bmc.2011.04.041 Yellow fever virus 2
21612931 10.1016/j.bmc.2011.04.041 ADMET 1

Data from ChEMBL 36 via Core Engine