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Compound Detail

CHEMBL118451

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Cc1ccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118451
Phase Preclinical
Structure Type MOL
InChI Key CBORRFNDQRODST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
4.44
ALogP
4
HBA
3
HBD
112.9
PSA (Ų)
0.57
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 C22H17NO6
MW 391.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.98

Literature References

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

Data from ChEMBL 36 via Core Engine