Compound Detail
CHEMBL468643
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Basic Information
| ChEMBL ID | CHEMBL468643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNAKHZFGUFUGLK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
3.09
ALogP
5
HBA
2
HBD
105.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spinacia oleracea CHEMBL612824 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spinacia oleracea | IC50 | = | 32000.0 | nM | 4.5 | Herbicidal activity in Spinacia oleracea assessed as inhibition of photosyntheti... | 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