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Compound Detail

CHEMBL1801510

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O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801510
Phase Preclinical
Structure Type MOL
InChI Key DNJHONNJKDETND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
4.42
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.75
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 C16H11ClN2O2S
MW 330.80
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.53

Literature References

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

Data from ChEMBL 36 via Core Engine