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Compound Detail

CHEMBL331056

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O=C(O)c1cccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331056
Phase Preclinical
Structure Type MOL
InChI Key HZZKUAIZLVQIHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
3.83
ALogP
5
HBA
4
HBD
150.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15NO8
MW 421.36
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
15214781 10.1021/jm031121n Glycogen phosphorylase, liver form 1
15214781 10.1021/jm031121n Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine