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Compound Detail

CHEMBL2048345

EUDISTOMIN Y12
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Cc1ccc(S(=O)(=O)Oc2ccc(C(O)c3nccc4c3[nH]c3ccc(Br)cc34)cc2Br)cc1

Basic Information

ChEMBL ID CHEMBL2048345
Name EUDISTOMIN Y12
Phase Preclinical
Structure Type MOL
InChI Key YWBMOWQMJIWLMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

602.3
MW (Da)
6.40
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H18Br2N2O4S
MW 602.30
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
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