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Compound Detail

CHEMBL1798023

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COC(=O)c1sc(-c2ccc3ccccc3c2)nc1C(Br)Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1798023
Phase Preclinical
Structure Type MOL
InChI Key FIAYSDBBLWTRMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.1
MW (Da)
5.54
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.40
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 C16H11Br2NO2S
MW 441.14
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.84

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