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Compound Detail

CHEMBL150423

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COc1cccc2c(=O)n(C)c(C)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150423
Phase Preclinical
Structure Type MOL
InChI Key BUKGEOTYMNTZKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.25
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.70
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 C11H12N2O2
MW 204.23
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
9857092 10.1021/jm980273t Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine