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Compound Detail

CHEMBL507710

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

Basic Information

ChEMBL ID CHEMBL507710
Name TETRAACETYLPSEUROTIN A
Phase Preclinical
Structure Type MOL
InChI Key RLBLOGCMIPNOIL-RUZICINHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

599.6
MW (Da)
1.97
ALogP
12
HBA
0
HBD
168.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33NO12
MW 599.59
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness 1.22

Literature References

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

Data from ChEMBL 36 via Core Engine