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Compound Detail

CHEMBL223939

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C=C(COC(C)=O)[C@@H]1Cc2cc(C(C)=O)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223939
Phase Preclinical
Structure Type MOL
InChI Key CMOGDVKTFYEQGC-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
2.31
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H16O4
MW 260.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
9784153 10.1021/np9800248 Tenebrio molitor 2
17315926 10.1021/np060581r Unchecked 1

Data from ChEMBL 36 via Core Engine