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Compound Detail

CHEMBL501416

GYMNASTERKOREAYNE E
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C=CCCCCC/C=C/[C@H](O)C#CC#C[C@@H](O)[C@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501416
Name GYMNASTERKOREAYNE E
Phase Preclinical
Structure Type MOL
InChI Key BEZRAMBFCSSHHE-MTQUPGJJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
1.79
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.36
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 C17H24O3
MW 276.38
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.44

Literature References

PubMed DOI Target Context # Activities
12088435 10.1021/np0104018 L1210 1
22264115 10.1021/np200646e No relevant target 1
22264115 10.1021/np200646e Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine