Compound Detail
CHEMBL450602
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Basic Information
| ChEMBL ID | CHEMBL450602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUYAUELJBWQNDH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.88
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.4 | 4.4 | 39800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6800.0 | nM | 5.17 | Antiplasmodial activity after 18 hrs against chloroquine-resistant Plasmodium fa... | 14640516 |
| BV-2 | IC50 | = | 39800.0 | nM | 4.4 | Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc... | 29482940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19928832 | 10.1021/np900676y | T47D | 4 |
| 19928832 | 10.1021/np900676y | MCF7 | 4 |
| 29482940 | 10.1016/j.bmcl.2018.02.026 | BV-2 | 2 |
| 14640516 | 10.1021/np030008x | Plasmodium falciparum | 1 |
| 19818612 | 10.1016/j.bmcl.2009.08.084 | MCF7 | 1 |
| 19818612 | 10.1016/j.bmcl.2009.08.084 | NON-PROTEIN TARGET | 1 |
| 20800321 | 10.1016/j.ejmech.2010.08.016 | Radical scavenging activity | 1 |
| 28835349 | 10.1016/j.bmc.2017.08.018 | Nuclear factor erythroid 2-related factor 2 | 1 |
Data from ChEMBL 36 via Core Engine