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Compound Detail

CHEMBL227533

HOMOMOSCHATOLINE
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COc1c(OC)c2c3c(nccc3c1OC)C(=O)c1ccccc1-2

Basic Information

ChEMBL ID CHEMBL227533
Name HOMOMOSCHATOLINE
Phase Preclinical
Structure Type MOL
InChI Key WXGQWNXTPSGPIX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
3.47
ALogP
5
HBA
0
HBD
57.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H15NO4
MW 321.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.01

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8158166 10.1021/np50103a009 Saccharomyces cerevisiae 4
20476748 10.1021/np100013r Staphylococcus aureus 3
20476748 10.1021/np100013r Candida dubliniensis 2
33939429 10.1021/acs.jnatprod.1c00146 RAW264.7 1
17081761 10.1016/j.bmc.2006.10.034 ADMET 1
20476748 10.1021/np100013r Candida parapsilosis 1
20476748 10.1021/np100013r Nakaseomyces glabratus 1
20476748 10.1021/np100013r Candida tropicalis 1
20476748 10.1021/np100013r Candida albicans 1
20476748 10.1021/np100013r Pseudomonas aeruginosa 1
20476748 10.1021/np100013r Escherichia coli 1
20476748 10.1021/np100013r Staphylococcus epidermidis 1
20476748 10.1021/np100013r Kocuria rhizophila 1
20476748 10.1021/np100013r NON-PROTEIN TARGET 1
16499336 10.1021/np050422s Leishmania guyanensis 1
16499336 10.1021/np050422s Leishmania braziliensis 1
- 10.1021/np50019a011 KB 1
17081761 10.1016/j.bmc.2006.10.034 B-cell 1
17081761 10.1016/j.bmc.2006.10.034 T-cell 1

Data from ChEMBL 36 via Core Engine