Compound Detail
CHEMBL2228003
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Basic Information
| ChEMBL ID | CHEMBL2228003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KARPCFDOBUYODZ-SEYXRHQNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
357.9
MW (Da)
2.90
ALogP
7
HBA
1
HBD
84.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spinacia oleracea CHEMBL612824 | IC50 | 6.79 | 6.79 | 162.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spinacia oleracea | IC50 | = | 162.18 | nM | 6.79 | Inhibition of photosynthetic electron transport in Spinacia oleracea (spinach)is... | 18052098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15053529 | 10.1021/jf035312a | Brassica napus | 10 |
| 18052098 | 10.1021/jf072851x | Brassica napus | 6 |
| 15053529 | 10.1021/jf035312a | Amaranthus retroflexus | 5 |
| 18052098 | 10.1021/jf072851x | Amaranthus retroflexus | 4 |
| 18052098 | 10.1021/jf072851x | Spinacia oleracea | 2 |
| 18052098 | 10.1021/jf072851x | Digitaria sanguinalis | 2 |
| 18052098 | 10.1021/jf072851x | Medicago sativa | 2 |
| 15053529 | 10.1021/jf035312a | Medicago sativa | 2 |
Data from ChEMBL 36 via Core Engine