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Compound Detail

CHEMBL361500

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Oc1nc2c(c3ccccc13)Cc1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361500
Phase Preclinical
Structure Type MOL
InChI Key MOPKKHSEOPGEBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
3.51
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11NO
MW 233.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
16078828 10.1021/jm0502891 Poly [ADP-ribose] polymerase 1 2

Data from ChEMBL 36 via Core Engine