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Compound Detail

CHEMBL3590506

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CCCCCCCCCCCc1cc(O)cc(O)c1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3590506
Phase Preclinical
Structure Type MOL
InChI Key GBKPEEONRMUYJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
5.37
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H30O3
MW 306.45
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.07

Literature References

PubMed DOI Target Context # Activities
26126835 10.1021/acs.jnatprod.5b00415 Enterococcus faecalis 1
26126835 10.1021/acs.jnatprod.5b00415 Escherichia coli 1
26126835 10.1021/acs.jnatprod.5b00415 Staphylococcus aureus 1
27008174 10.1021/acs.jnatprod.5b00915 Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist 1
27008174 10.1021/acs.jnatprod.5b00915 Bcl-xL/BAK 1

Data from ChEMBL 36 via Core Engine