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Compound Detail

CHEMBL381460

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O=C1NC(=O)c2c1c1c(c3oc4ccccc4c23)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381460
Phase Preclinical
Structure Type MOL
InChI Key JKUCXPDIZSGEPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.96
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.64
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 C17H11NO3
MW 277.28
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
16290935 10.1016/j.bmcl.2005.10.099 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine