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Compound Detail

CHEMBL1798020

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COC(=O)c1sc(-c2ccc(OC)cc2)nc1C(Br)Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1798020
Phase Preclinical
Structure Type MOL
InChI Key JYQWNMBVEFWXMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.1
MW (Da)
4.39
ALogP
5
HBA
0
HBD
48.4
PSA (Ų)
0.54
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 C13H11Br2NO3S
MW 421.11
Aromatic Rings 2
Heavy Atoms 20
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