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Compound Detail

CHEMBL2270716

6,8-diCl-D-DIBOA
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O=C1COc2c(Cl)cc(Cl)cc2N1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2270716
Name 6,8-diCl-D-DIBOA
Phase Preclinical
Structure Type MOL
InChI Key PKKVXWRORYRCKE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

234.0
MW (Da)
2.11
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.70
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 C8H5Cl2NO3
MW 234.04
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.59

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
19551813 10.1002/ps.1799 Unchecked 1
19551813 10.1002/ps.1799 Oryza sativa 1
19551813 10.1002/ps.1799 Echinochloa crus-galli 1

Data from ChEMBL 36 via Core Engine