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Compound Detail

CHEMBL91670

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O=c1[nH]c2c(ccc3ccccc32)oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91670
Phase Preclinical
Structure Type MOL
InChI Key MJNQCAVYAWNGNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
1.63
ALogP
3
HBA
1
HBD
63.1
PSA (Ų)
0.46
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 C12H7NO3
MW 213.19
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
2578192 10.1021/jm00379a006 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine