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Compound Detail

CHEMBL2018082

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OC[C@H]1O[C@@H](c2cccc(Cc3ccccn3)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2018082
Phase Preclinical
Structure Type MOL
InChI Key SFMLMXKPUWXMMH-SFFUCWETSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
0.19
ALogP
6
HBA
4
HBD
103.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO5
MW 331.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.87

Literature References

PubMed DOI Target Context # Activities
22507206 10.1016/j.bmc.2012.03.051 Sodium/glucose cotransporter 2 1

Data from ChEMBL 36 via Core Engine