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Compound Detail

CHEMBL489499

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

Basic Information

ChEMBL ID CHEMBL489499
Name 6-O-METHOXYPSEUROTIN A
Phase Preclinical
Structure Type MOL
InChI Key JDKUMTRVJDTZBM-WKQDSBMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
0.45
ALogP
9
HBA
4
HBD
134.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO8
MW 447.48
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
19179074 10.1016/j.bmcl.2009.01.029 Unchecked 1

Data from ChEMBL 36 via Core Engine