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Compound Detail

CHEMBL463634

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

Basic Information

ChEMBL ID CHEMBL463634
Name GYMNASTERKOREAYNE A
Phase Preclinical
Structure Type MOL
InChI Key ZIRUVVYZSHKYCQ-PBKGFPTLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

164.2
MW (Da)
0.31
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12O2
MW 164.20
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 3.77

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