Compound Detail
CHEMBL2228068
6-F-4-Val-D-DIBOA Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2228068 |
| Name | 6-F-4-Val-D-DIBOA |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYCXOCZEXPTWMQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.20
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryza sativa CHEMBL613061 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Avena fatua CHEMBL612834 | IC50 | 5.18 | 5.18 | 6526.0 | 1 |
| Echinochloa crus-galli CHEMBL612343 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Triticum aestivum CHEMBL612836 | IC50 | 4.24 | 4.24 | 58240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryza sativa | IC50 | = | 6000.0 | nM | 5.22 | Phytotoxicity against Oryza sativa (rice) assessed as inhibition of root elongat... | 20628996 |
| Avena fatua | IC50 | = | 6526.0 | nM | 5.18 | Herbicidal activity against Avena fatua assessed as inhibition of root length af... | 20628996 |
| Echinochloa crus-galli | IC50 | = | 8000.0 | nM | 5.1 | Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as ... | 20628996 |
| Triticum aestivum | IC50 | = | 58240.0 | nM | 4.24 | Phytotoxicity against Triticum aestivum (wheat) assessed as inhibition of root e... | 20628996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20628996 | 10.1002/ps.1992 | Echinochloa crus-galli | 4 |
| 20628996 | 10.1002/ps.1992 | Avena fatua | 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