Compound Detail
CHEMBL2227995
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Basic Information
| ChEMBL ID | CHEMBL2227995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWUMDVBZWWMOSD-OUKQBFOZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
1.25
ALogP
9
HBA
1
HBD
106.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spinacia oleracea CHEMBL612824 | IC50 | 5.42 | 5.42 | 3801.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spinacia oleracea | IC50 | = | 3801.89 | nM | 5.42 | Inhibition of photosynthetic electron transport in Spinacia oleracea (spinach)is... | 18052098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052098 | 10.1021/jf072851x | Spinacia oleracea | 2 |
| 18052098 | 10.1021/jf072851x | Digitaria sanguinalis | 2 |
| 18052098 | 10.1021/jf072851x | Medicago sativa | 2 |
| 18052098 | 10.1021/jf072851x | Amaranthus retroflexus | 2 |
| 18052098 | 10.1021/jf072851x | Brassica napus | 2 |
Data from ChEMBL 36 via Core Engine