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Compound Detail

CHEMBL3403682

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C[C@@](O)(CC(=O)O)CC(=O)OC[C@H]1O[C@@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3403682
Phase Preclinical
Structure Type MOL
InChI Key HSFDYJXFPJALEF-GNKCQKPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

674.6
MW (Da)
-1.75
ALogP
16
HBA
7
HBD
256.3
PSA (Ų)
0.09
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C31H34N2O15
MW 674.61
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness 1.73

Literature References

PubMed DOI Target Context # Activities
25666824 10.1016/j.bmcl.2015.01.034 RAW264.7 1

Data from ChEMBL 36 via Core Engine