Compound Detail
CHEMBL468190
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 | CHEMBL468190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRRCOOMRKSXMFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
4.00
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spinacia oleracea CHEMBL612824 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Chlorella vulgaris CHEMBL613342 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spinacia oleracea | IC50 | = | 7200.0 | nM | 5.14 | Herbicidal activity in Spinacia oleracea assessed as inhibition of photosyntheti... | 18342517 |
| Chlorella vulgaris | IC50 | = | 10900.0 | nM | 4.96 | Herbicidal activity against Chlorella vulgaris Beij assessed as decrease in chlo... | 18342517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18342517 | 10.1016/j.bmc.2008.02.065 | No relevant target | 1 |
| 18342517 | 10.1016/j.bmc.2008.02.065 | Spinacia oleracea | 1 |
| 18342517 | 10.1016/j.bmc.2008.02.065 | Chlorella vulgaris | 1 |
Data from ChEMBL 36 via Core Engine