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Compound Detail

CHEMBL1767062

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O=C(O)c1cccc2c(=O)[nH]ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767062
Phase Preclinical
Structure Type MOL
InChI Key MLQUDHWCGDWPDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
1.23
ALogP
2
HBA
2
HBD
70.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7NO3
MW 189.17
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
21417348 10.1021/jm1010918 Poly [ADP-ribose] polymerase 1 2
21417348 10.1021/jm1010918 Poly [ADP-ribose] polymerase 2 2

Data from ChEMBL 36 via Core Engine