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Compound Detail

CHEMBL103948

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CC1(C)C=C(n2ccccc2=O)c2c[n+]([O-])ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103948
Phase Preclinical
Structure Type MOL
InChI Key UXGWXDVGQCZFIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
1.54
ALogP
4
HBA
0
HBD
58.2
PSA (Ų)
0.58
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 C15H14N2O3
MW 270.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
2231602 10.1021/jm00173a019 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine