Compound Detail
CHEMBL202312
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Basic Information
| ChEMBL ID | CHEMBL202312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBQODLLMBOBCMS-VQHVLOKHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
281.7
MW (Da)
4.76
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlorella vulgaris CHEMBL613342 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlorella vulgaris | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of Chlorella vulgaris Beij assessed as reduction of chlorophyll conte... | 17142046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289813 | 10.1016/j.bmcl.2005.10.083 | Human immunodeficiency virus type 1 integrase | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | No relevant target | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Unchecked | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Chlorella vulgaris | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | SK-N-MC | 1 |
| 17904844 | 10.1016/j.bmcl.2007.09.040 | SK-N-MC | 1 |
| 17904844 | 10.1016/j.bmcl.2007.09.040 | No relevant target | 1 |
| 17904844 | 10.1016/j.bmcl.2007.09.040 | P388 | 1 |
Data from ChEMBL 36 via Core Engine