Compound Detail
CHEMBL510619
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Basic Information
| ChEMBL ID | CHEMBL510619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDGIEIGBQXURRS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
315.6
MW (Da)
5.29
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.78
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma japonicum CHEMBL612644 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.82 | 4.82 | 15220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma japonicum | IC50 | = | 10100.0 | nM | 5.0 | Antischistosomal activity against juvenile stage of Schistosoma japonicum after ... | 26856921 |
| No relevant target | IC50 | = | 15220.0 | nM | 4.82 | Antiglycation activity of compound assessed as inhibition of BSA-derived advance... | 19251423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26856921 | 10.1016/j.bmcl.2016.01.075 | Schistosoma japonicum | 2 |
| 19251423 | 10.1016/j.bmc.2009.01.075 | No relevant target | 1 |
| 21243104 | 10.1021/ml100083c | BJ | 1 |
| 21243104 | 10.1021/ml100083c | HEK293 | 1 |
| 21243104 | 10.1021/ml100083c | HepG2 | 1 |
| 21243104 | 10.1021/ml100083c | Raji | 1 |
Data from ChEMBL 36 via Core Engine