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Compound Detail

CHEMBL2270710

7-F-D-DIBOA
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O=C1COc2cc(F)ccc2N1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2270710
Name 7-F-D-DIBOA
Phase Preclinical
Structure Type MOL
InChI Key FWPIFPLWIZLNIB-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

183.1
MW (Da)
0.94
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.61
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 C8H6FNO3
MW 183.14
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.68

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
30471830 10.1016/j.bmc.2018.11.016 Candida albicans 2
19551813 10.1002/ps.1799 Unchecked 1
19551813 10.1002/ps.1799 Oryza sativa 1
19551813 10.1002/ps.1799 Echinochloa crus-galli 1
30471830 10.1016/j.bmc.2018.11.016 Staphylococcus aureus 1
30471830 10.1016/j.bmc.2018.11.016 Escherichia coli 1

Data from ChEMBL 36 via Core Engine