Compound Detail
CHEMBL2251591
ISOPROTURON Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2251591 |
| Name | ISOPROTURON |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
2.90
ALogP
1
HBA
1
HBD
32.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photosystem II protein D1 CHEMBL2366481 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Photosystem II protein D1 CHEMBL2366463 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photosystem II protein D1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of photosystem II mediated electron transport in Spinacia oleracea (s... | - |
| Photosystem II protein D1 | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of photosystem II mediated electron transport in Marchantia polymorph... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18522406 | 10.1021/jf800795v | Triticum aestivum | 30 |
| - | 10.1016/j.cropro.2007.10.004 | Phalaris minor | 5 |
| 18522406 | 10.1021/jf800795v | No relevant target | 2 |
| - | 10.1271/bbb.57.1389 | Photosystem II protein D1 | 2 |
| - | 10.1016/j.cropro.2007.10.004 | Lepidium didymum | 1 |
| - | 10.1016/j.cropro.2007.10.004 | Melilotus albus | 1 |
| - | 10.1016/j.cropro.2007.10.004 | Medicago polymorpha | 1 |
| - | 10.1271/bbb.57.1389 | No relevant target | 1 |
| - | 10.1271/bbb.57.1389 | Vigna radiata var. radiata | 1 |
Data from ChEMBL 36 via Core Engine