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Compound Detail

CHEMBL480372

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CC(=O)c1c(O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL480372
Phase Preclinical
Structure Type MOL
InChI Key XXZLJUUQYJROBE-OJAKKHQRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
-0.59
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.55
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 C13H16O7
MW 284.26
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.84

Activity Summary

Ki 1 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 28 member 3
CHEMBL5707
Ki 4.38 4.38 42120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19097778 10.1016/j.bmcl.2008.11.112 Solute carrier family 28 member 3 1

Data from ChEMBL 36 via Core Engine