Compound Detail
CHEMBL450187
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Basic Information
| ChEMBL ID | CHEMBL450187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGIUYYLUJCYNMB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.19
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlorella vulgaris CHEMBL613342 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlorella vulgaris | IC50 | = | 4800.0 | nM | 5.32 | 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 |
| 34779640 | 10.1021/acs.jmedchem.1c01318 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine