Compound Detail
CHEMBL2227981
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Basic Information
| ChEMBL ID | CHEMBL2227981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWAZQEDHHBTUAG-PFONDFGASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.38
ALogP
6
HBA
1
HBD
84.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spinacia oleracea CHEMBL612824 | IC50 | 5.18 | 5.18 | 6606.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spinacia oleracea | IC50 | = | 6606.93 | nM | 5.18 | 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 |
| 17381123 | 10.1021/jf0636519 | Digitaria sanguinalis | 2 |
| 17381123 | 10.1021/jf0636519 | Medicago sativa | 2 |
| 17381123 | 10.1021/jf0636519 | Amaranthus retroflexus | 2 |
| 17381123 | 10.1021/jf0636519 | Brassica napus | 2 |
| 17381123 | 10.1021/jf0636519 | Cladosporium cucumerinum | 1 |
| 17381123 | 10.1021/jf0636519 | Mycosphaerella arachidis | 1 |
| 17381123 | 10.1021/jf0636519 | Botryosphaeria berengeriana | 1 |
| 17381123 | 10.1021/jf0636519 | Alternaria solani | 1 |
| 17381123 | 10.1021/jf0636519 | Fusarium graminearum | 1 |
| 17381123 | 10.1021/jf0636519 | Cucumis sativus | 1 |
Data from ChEMBL 36 via Core Engine