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Compound Detail

CHEMBL403175

EUDISTOMIN Y4
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O=C(c1ccc(O)c(Br)c1)c1nccc2c1[nH]c1ccc(Br)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403175
Name EUDISTOMIN Y4
Phase Preclinical
Structure Type MOL
InChI Key AEXFJGQPZSMAKD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

446.1
MW (Da)
5.18
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H10Br2N2O2
MW 446.10
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.25

Activity Summary

IC50 2 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.12 5.12 7500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 7500.0 nM 5.12 Inhibition of porcine cerebral cortex Na+/K+ ATPase assessed as formation of flu... 22652254

Literature References

PubMed DOI Target Context # Activities
18247569 10.1021/np070064o Bacillus subtilis 1
22652254 10.1016/j.bmc.2012.05.002 Staphylococcus aureus 1
22652254 10.1016/j.bmc.2012.05.002 Bacillus subtilis 1
22652254 10.1016/j.bmc.2012.05.002 Micrococcus luteus 1
22652254 10.1016/j.bmc.2012.05.002 Salmonella typhimurium 1
22652254 10.1016/j.bmc.2012.05.002 Proteus vulgaris 1
22652254 10.1016/j.bmc.2012.05.002 Escherichia coli 1
22652254 10.1016/j.bmc.2012.05.002 Aspergillus fumigatus 1
22652254 10.1016/j.bmc.2012.05.002 Trichophyton rubrum 1
22652254 10.1016/j.bmc.2012.05.002 Trichophyton mentagrophytes 1
22652254 10.1016/j.bmc.2012.05.002 Candida albicans 1
22652254 10.1016/j.bmc.2012.05.002 A549 1
22652254 10.1016/j.bmc.2012.05.002 Sortase A 1
22652254 10.1016/j.bmc.2012.05.002 Isocitrate lyase 1
22652254 10.1016/j.bmc.2012.05.002 Unchecked 1

Data from ChEMBL 36 via Core Engine