Compound Detail
CHEMBL1605837
SIMAZINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1605837 |
| Name | SIMAZINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODCWYMIRDDJXKW-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
201.7
MW (Da)
1.39
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b6-f complex subunit 4 CHEMBL2366461 | IC50 | 6.28 | 6.28 | 524.8 | 4 |
| Protoporphyrinogen IX oxidase CHEMBL2366515 | IC50 | 6.07 | 6.07 | 851.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b6-f complex subunit 4 | IC50 | = | 524.81 | nM | 6.28 | Inhibition of photosynthetic electron transport in Spinacia oleracea (spinach) t... | - |
| Cytochrome b6-f complex subunit 4 | IC50 | = | 524.81 | nM | 6.28 | Inhibition of photosynthetic electron transport in Spinacia oleracea leaf thylak... | - |
| Cytochrome b6-f complex subunit 4 | IC50 | = | 524.81 | nM | 6.28 | Inhibition of photosynthetic electron transport in Spinacia oleracea (spinach) t... | - |
| Cytochrome b6-f complex subunit 4 | IC50 | = | 524.81 | nM | 6.28 | Inhibition of photosystem-mediated photosynthetic electron transport in Spinacia... | - |
| Protoporphyrinogen IX oxidase | IC50 | = | 851.14 | nM | 6.07 | Inhibition of photosystem-mediated photosynthetic electron transport in Scenedes... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.26.236 | Poa annua | 13 |
| - | 10.1584/jpestics.22.309 | Scenedesmus acutus | 12 |
| - | 10.1584/jpestics.26.257 | Persicaria longiseta | 2 |
| - | 10.1584/jpestics.26.257 | Chenopodium album | 2 |
| - | 10.1584/jpestics.26.257 | Digitaria ciliaris | 2 |
| - | 10.1584/jpestics.26.257 | Echinochloa crus-galli var. crus-galli | 2 |
| - | 10.1584/jpestics.26.257 | Pontederia vaginalis | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| - | 10.1584/jpestics.23.268 | Digitaria ciliaris | 1 |
| - | 10.1584/jpestics.23.268 | Stellaria media | 1 |
| - | 10.1584/jpestics.23.268 | Chenopodium album | 1 |
| - | 10.1584/jpestics.26.257 | Amaranthus blitum subsp. oleraceus | 1 |
| - | 10.1584/jpestics.26.257 | Cytochrome b6-f complex subunit 4 | 1 |
| - | 10.1584/jpestics.26.257 | Echinochloa oryzicola | 1 |
| - | 10.1584/jpestics.26.257 | Schoenoplectiella juncoides | 1 |
| - | 10.1584/jpestics.24.138 | Cytochrome b6-f complex subunit 4 | 1 |
| - | 10.1584/jpestics.26.257 | Rotala indica | 1 |
| - | 10.1584/jpestics.25.101 | Echinochloa crus-galli | 1 |
| - | 10.1584/jpestics.25.101 | Digitaria ciliaris | 1 |
| - | 10.1584/jpestics.25.101 | Chenopodium album | 1 |
Data from ChEMBL 36 via Core Engine