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Compound Detail

CHEMBL3629676

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O=C1NCCc2ccc(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3629676
Phase Preclinical
Structure Type MOL
InChI Key CZORCICKCUXXCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
0.68
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.59
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 C9H9NO2
MW 163.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
26231158 10.1016/j.bmcl.2015.07.033 Protein mono-ADP-ribosyltransferase PARP10 3
26231158 10.1016/j.bmcl.2015.07.033 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine