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Compound Detail

CHEMBL1496340

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OCn1c2ccccc2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1496340
Phase Preclinical
Structure Type MOL
InChI Key LRQYFGXOJXXKGQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
2.74
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO
MW 197.24
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -0.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25278230 10.1016/j.bmcl.2014.09.028 No relevant target 1

Data from ChEMBL 36 via Core Engine