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Compound Detail

CHEMBL116480

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O=C(Nc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116480
Phase Preclinical
Structure Type MOL
InChI Key UCIUTCIVAMCLST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.8
MW (Da)
4.78
ALogP
4
HBA
3
HBD
112.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14ClNO6
MW 411.80
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.07

Literature References

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

Data from ChEMBL 36 via Core Engine