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Compound Detail

CHEMBL2207877

STREPTOSETIN A
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CC[C@@H]1CC(=O)[C@H]2[C@@H](CC=C(C)[C@@H]2O)[C@]1(C)C(=O)C1=C(O)NCC1=O

Basic Information

ChEMBL ID CHEMBL2207877
Name STREPTOSETIN A
Phase Preclinical
Structure Type MOL
InChI Key QLBLRBBMTXOYJH-XHKYUUOZSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
1.45
ALogP
6
HBA
3
HBD
103.7
PSA (Ų)
0.53
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 C19H25NO5
MW 347.41
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 2.50

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
23167691 10.1021/np300640g NAD-dependent protein deacetylase sirtuin-2 1
23167691 10.1021/np300640g NAD-dependent protein deacetylase sirtuin-1 1
23167691 10.1021/np300640g Unchecked 1
23167691 10.1021/np300640g Saccharomyces cerevisiae 1

Data from ChEMBL 36 via Core Engine