Compound Detail
CHEMBL45411
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Basic Information
| ChEMBL ID | CHEMBL45411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXBRNYWXTTXRKY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1178835 |
| Active Moiety | CHEMBL1178835 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.80
ALogP
1
HBA
1
HBD
28.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| FM3A CHEMBL614297 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 1100.0 | nM | 5.96 | In vitro antimalarial activity against Plasmodium falciparum FCR3 | 15026051 |
| FM3A | EC50 | = | 8400.0 | nM | 5.08 | In vitro cytotoxic activity tested in mouse mammary tumor FM3A cells | 15026051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026051 | 10.1016/j.bmcl.2004.01.055 | FM3A | 2 |
| 15026051 | 10.1016/j.bmcl.2004.01.055 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine