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Compound Detail

CHEMBL2431807

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N#CCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2431807
Phase Preclinical
Structure Type MOL
InChI Key SGCWGDJXEREHOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
3.36
ALogP
4
HBA
0
HBD
63.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11NO3
MW 277.28
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
24116873 10.1021/jm401463y Poly [ADP-ribose] polymerase tankyrase-1 1

Data from ChEMBL 36 via Core Engine