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Compound Detail

CHEMBL451704

GLYCOCITRINE II
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CC(C)=CCc1c(O)cc(O)c2c(=O)c3ccccc3n(C)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451704
Name GLYCOCITRINE II
Phase Preclinical
Structure Type MOL
InChI Key ZVEGIYHOVGYFQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.61
ALogP
4
HBA
2
HBD
62.5
PSA (Ų)
0.56
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 C19H19NO3
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 1.45

Literature References

PubMed DOI Target Context # Activities
10217715 10.1021/np980504z A549 1
10217715 10.1021/np980504z B16 1
10217715 10.1021/np980504z CCRF-HSB-2 1
10217715 10.1021/np980504z TGBC11TKB 1

Data from ChEMBL 36 via Core Engine