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Compound Detail

CHEMBL1098106

LEPTOSPHAERIN G
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C[C@@H]1CC(O)=C2C(=O)c3c(O)cccc3O[C@]2(C)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1098106
Name LEPTOSPHAERIN G
Phase Preclinical
Structure Type MOL
InChI Key FDAUCSBQMOWVJY-JKNGDPHESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.94
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H16O5
MW 276.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 2.29

Activity Summary

IC50 1 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aspergillus flavus
CHEMBL614955
 IC50 4.83 4.83 14800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aspergillus flavus IC50 = 14800.0 nM 4.83 Antifungal activity against Aspergillus flavus CGMCC 3.0951 after 48 hrs by Alam... 20408555

Literature References

PubMed DOI Target Context # Activities
20408555 10.1021/np1000335 Microdochium nivale 1
20408555 10.1021/np1000335 Pyricularia oryzae 1
20408555 10.1021/np1000335 Aspergillus flavus 1

Data from ChEMBL 36 via Core Engine