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Compound Detail

CHEMBL1802238

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CC(C)c1cnc(NC(=O)c2ccccc2O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1802238
Phase Preclinical
Structure Type MOL
InChI Key KPGFUSICADCZJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
3.22
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.89
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 C13H14N2O2S
MW 262.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.38

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