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Compound Detail

CHEMBL397685

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O=c1c2ccccc2[nH]c2cccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397685
Phase Preclinical
Structure Type MOL
InChI Key YZTFXTYKRHQLIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
2.39
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H9NO2
MW 211.22
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
20452101 10.1016/j.ejmech.2010.04.013 HaCaT 2
20850910 10.1016/j.ejmech.2010.08.059 HaCaT 2
17317193 10.1016/j.bmc.2007.02.017 Broad substrate specificity ATP-binding cassette transporter ABCG2 1
20452101 10.1016/j.ejmech.2010.04.013 Radical scavenging activity 1
20850910 10.1016/j.ejmech.2010.08.059 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine