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Compound Detail

CHEMBL2071226

BURMANIN B
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COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3ccc(O)c(OC)c3c1O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2071226
Name BURMANIN B
Phase Preclinical
Structure Type MOL
InChI Key YPEZMNAMMYQHII-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
4.35
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.67
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 C24H20O6
MW 404.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 1.39

Activity Summary

IC50 2 meas. best 9.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania major
CHEMBL612879
 IC50 9.74 9.74 0.2 1
RAW264.7
CHEMBL612557
 IC50 4.51 4.51 31000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania major IC50 = 0.18 nM 9.74 Antileishmanial activity against Leishmania major promastigotes incubated for 48... 22858297
RAW264.7 IC50 = 31000.0 nM 4.51 Toxicity against mouse RAW264.7 cells by XTT assay 22858297

Literature References

PubMed DOI Target Context # Activities
22858297 10.1016/j.bmc.2012.06.055 Leishmania major 1
22858297 10.1016/j.bmc.2012.06.055 RAW264.7 1
22858297 10.1016/j.bmc.2012.06.055 Unchecked 1

Data from ChEMBL 36 via Core Engine