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Compound Detail

CHEMBL1824862

INFLATIN C
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COc1cc(=O)oc2c1[C@H](O)O[C@@H](C)[C@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1824862
Name INFLATIN C
Phase Preclinical
Structure Type MOL
InChI Key ZYSOIVWPFGMXCV-LJNABYEQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
1.16
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H14O5
MW 226.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 2.21

Literature References

PubMed DOI Target Context # Activities
21812410 10.1021/np200431k NON-PROTEIN TARGET 4
21812410 10.1021/np200431k A549 1
21812410 10.1021/np200431k A-375 1
21812410 10.1021/np200431k MCF7 1
21812410 10.1021/np200431k PANC-1 1
21812410 10.1021/np200431k HaCaT 1

Data from ChEMBL 36 via Core Engine