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Compound Detail

CHEMBL385320

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C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@H]5OS(=O)(=O)C(F)(F)F)[C@@]12O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL385320
Phase Preclinical
Structure Type MOL
InChI Key SGRKMMKNGLCBFP-FOIUPXKISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

572.5
MW (Da)
-1.52
ALogP
13
HBA
3
HBD
192.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F3O13S
MW 572.46
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 2.25

Literature References

PubMed DOI Target Context # Activities
17352465 10.1021/jm070003n Glycine receptor subunit alpha-1 2
17352465 10.1021/jm070003n Glycine receptor subunit alpha-2 1

Data from ChEMBL 36 via Core Engine