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Compound Detail

CHEMBL4867105

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O=C1CC(c2ccccc2)c2cc3c(cc2N1)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4867105
Phase Preclinical
Structure Type MOL
InChI Key PLDRUKCQEKZANB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
2.89
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13NO3
MW 267.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
34597046 10.1021/acs.jmedchem.1c01336 Hepatitis A virus cellular receptor 2 1

Data from ChEMBL 36 via Core Engine