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Compound Detail

CHEMBL2386742

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O=c1[nH]c2ccccc2c(-c2ccccc2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2386742
Phase Preclinical
Structure Type MOL
InChI Key QSRVMXWVVMILDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
2.90
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.68
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 C15H11NO2
MW 237.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
24936242 10.1021/ml4001112 Unchecked 1
31980363 10.1016/j.bmc.2019.115279 SU.86.86 1
33662206 10.1021/acs.jnatprod.0c01340 Bacillus cereus 1
33662206 10.1021/acs.jnatprod.0c01340 Vibrio anguillarum 1
33662206 10.1021/acs.jnatprod.0c01340 Vibrio parahaemolyticus 1

Data from ChEMBL 36 via Core Engine