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Compound Detail

CHEMBL3629677

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COc1ccc2c(c1)C(=O)NCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3629677
Phase Preclinical
Structure Type MOL
InChI Key QBEYUVIGABSXEU-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
0.98
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.69
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 C10H11NO2
MW 177.20
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.31

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
26231158 10.1016/j.bmcl.2015.07.033 Protein mono-ADP-ribosyltransferase PARP10 4
26231158 10.1016/j.bmcl.2015.07.033 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine