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Compound Detail

CHEMBL1801514

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CC(=O)Nc1cnc(NC(=O)c2ccccc2O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801514
Phase Preclinical
Structure Type MOL
InChI Key UUEXOMSESZYWRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.06
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3O3S
MW 277.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
21553812 10.1021/jm200153p Hepatitis B virus 4
22059983 10.1021/jm201264t Hepatitis C virus 2
21553812 10.1021/jm200153p ADMET 1
22059983 10.1021/jm201264t ADMET 1

Data from ChEMBL 36 via Core Engine