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Compound Detail

CHEMBL1162489

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O=C(O)C(O)Cc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1162489
Phase Preclinical
Structure Type MOL
InChI Key JVGVDSSUAVXRDY-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
0.38
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10O4
MW 182.18
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 1.28

Activity Summary

Ki 6 meas.

Literature References

PubMed DOI Target Context # Activities
17553798 10.1074/jbc.m703467200 Solute carrier family 22 member 6 2
17553798 10.1074/jbc.m703467200 Solute carrier family 22 member 20 2
21571536 10.1016/j.bmc.2011.04.045 Solute carrier family 22 member 6 2
17553798 10.1074/jbc.m703467200 Unchecked 1

Data from ChEMBL 36 via Core Engine