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Compound Detail

CHEMBL5268712

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CC(C)(O)[C@@H]1CCCC=C1COC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5268712
Phase Preclinical
Structure Type MOL
InChI Key XNUSKLRINMWJSU-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
3.34
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22O3
MW 274.36
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
34802242 10.1021/acs.jnatprod.1c00811 Bacillus subtilis 1
34802242 10.1021/acs.jnatprod.1c00811 Staphylococcus epidermidis 1
34802242 10.1021/acs.jnatprod.1c00811 Escherichia coli 1
34802242 10.1021/acs.jnatprod.1c00811 Pectobacterium carotovorum 1
34802242 10.1021/acs.jnatprod.1c00811 Enterococcus raffinosus 1
34802242 10.1021/acs.jnatprod.1c00811 Pseudomonas putida 1
34802242 10.1021/acs.jnatprod.1c00811 MCF7 1
34802242 10.1021/acs.jnatprod.1c00811 Paraburkholderia caledonica 1

Data from ChEMBL 36 via Core Engine