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Compound Detail

CHEMBL4163855

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CC[C@@H]1OC(=O)c2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163855
Phase Preclinical
Structure Type MOL
InChI Key AIHVXKPMAWGFLZ-VIFPVBQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
2.01
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H10O3
MW 178.19
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 1.50

Literature References

PubMed DOI Target Context # Activities
29786436 10.1021/acs.jnatprod.8b00015 ACHN 1
29786436 10.1021/acs.jnatprod.8b00015 786-0 1
29786436 10.1021/acs.jnatprod.8b00015 OS-RC-2 1
29786436 10.1021/acs.jnatprod.8b00015 HepG2 1
29786436 10.1021/acs.jnatprod.8b00015 SGC-7901 1
29786436 10.1021/acs.jnatprod.8b00015 Escherichia coli 1
29786436 10.1021/acs.jnatprod.8b00015 Staphylococcus aureus 1
29786436 10.1021/acs.jnatprod.8b00015 Erysipelothrix rhusiopathiae 1
29786436 10.1021/acs.jnatprod.8b00015 Pasteurella multocida 1

Data from ChEMBL 36 via Core Engine