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Compound Detail

CHEMBL2228079

8-Cl-2-Et-D-DIBOA
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CCC1Oc2c(Cl)cccc2N(O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2228079
Name 8-Cl-2-Et-D-DIBOA
Phase Preclinical
Structure Type MOL
InChI Key RNCNJTOEZJHMGO-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

227.7
MW (Da)
2.23
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10ClNO3
MW 227.65
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.06

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
20628996 10.1002/ps.1992 Avena fatua 3
20628996 10.1002/ps.1992 Echinochloa crus-galli 3
20628996 10.1002/ps.1992 Unchecked 2
20628996 10.1002/ps.1992 Triticum aestivum 2
20628996 10.1002/ps.1992 Oryza sativa 2
20014762 10.1021/jf903445m Lactuca sativa 1
20014762 10.1021/jf903445m Allium cepa 1
20014762 10.1021/jf903445m Solanum lycopersicum 1
20014762 10.1021/jf903445m Lepidium sativum 1

Data from ChEMBL 36 via Core Engine