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Compound Detail

CHEMBL127473

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COC1=CC(=O)c2c(cc3n2CC2CC32)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127473
Phase Preclinical
Structure Type MOL
InChI Key RPXJENOBJUJRRD-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

229.2
MW (Da)
1.51
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.73
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 C13H11NO3
MW 229.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.34

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7966141 10.1021/jm00048a019 V79 3
7966141 10.1021/jm00048a019 No relevant target 1

Data from ChEMBL 36 via Core Engine