Compound Detail
CHEMBL2228074
6-Cl-2-Et-D-DIBOA Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2228074 |
| Name | 6-Cl-2-Et-D-DIBOA |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQGOTDCLNUXWBR-UHFFFAOYSA-N |
4
Targets
7
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 |
Activity Summary
IC50 7 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lepidium sativum CHEMBL612381 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Allium cepa CHEMBL613790 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Solanum lycopersicum CHEMBL613317 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Oryza sativa CHEMBL613061 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lepidium sativum | IC50 | = | 400.0 | nM | 6.4 | Phytotoxicity against Lepidium sativum assessed as growth inhibition of root len... | 20014762 |
| Allium cepa | IC50 | = | 1600.0 | nM | 5.8 | Phytotoxicity against Allium cepa (onion) assessed as growth inhibition of root ... | 20014762 |
| Solanum lycopersicum | IC50 | = | 2300.0 | nM | 5.64 | Phytotoxicity against Solanum lycopersicum (tomato) assessed as growth inhibitio... | 20014762 |
| Oryza sativa | IC50 | = | 56000.0 | nM | 4.25 | Phytotoxicity against Oryza sativa (rice) assessed as inhibition of root elongat... | 20628996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20014762 | 10.1021/jf903445m | Allium cepa | 3 |
| 20014762 | 10.1021/jf903445m | Lepidium sativum | 3 |
| 20628996 | 10.1002/ps.1992 | Avena fatua | 3 |
| 20628996 | 10.1002/ps.1992 | Echinochloa crus-galli | 3 |
| 20014762 | 10.1021/jf903445m | Solanum lycopersicum | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine