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Compound Detail

CHEMBL400075

11-O-METHYLPSEUROTIN A
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CC/C=C\[C@H](OC)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL400075
Name 11-O-METHYLPSEUROTIN A
Phase Preclinical
Structure Type MOL
InChI Key BSXLPZRKEPWAAT-CHZVKGAWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
0.66
ALogP
8
HBA
3
HBD
131.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO8
MW 445.47
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 2.11

Literature References

PubMed DOI Target Context # Activities
17929896 10.1021/np070307c Saccharomyces cerevisiae 2
19179074 10.1016/j.bmcl.2009.01.029 Unchecked 1

Data from ChEMBL 36 via Core Engine