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Compound Detail

CHEMBL4540243

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COc1cc(/C=C/COC(=O)CC(C)C)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540243
Phase Preclinical
Structure Type MOL
InChI Key NKGVHLXBCZYJLO-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.00
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O4
MW 264.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.95

Literature References

PubMed DOI Target Context # Activities
30896183 10.1021/acs.jnatprod.8b00670 Trypanosoma congolense 1

Data from ChEMBL 36 via Core Engine