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Compound Detail

CHEMBL5272880

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CC(C)=C[C@H](O)[C@H](O)C(C)CCC/C(C)=C/Cc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5272880
Phase Preclinical
Structure Type MOL
InChI Key JMJIEBPTDSDJNZ-YEUFXAFYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
5.15
ALogP
2
HBA
3
HBD
56.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H33NO2
MW 355.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.83

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34802242 10.1021/acs.jnatprod.1c00811 Bacillus subtilis 2
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