Compound Detail
CHEMBL1317916
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Basic Information
| ChEMBL ID | CHEMBL1317916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFZNKDZHABMQJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.12
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.35 | 6.35 | 443.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 443.0 | nM | 6.35 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 33333397 |
| LoVo | IC50 | = | 42000.0 | nM | 4.38 | Growth inhibition of human LoVo cells by MTT assay | 24374273 |
| PC-3 | IC50 | = | 91000.0 | nM | 4.04 | Growth inhibition of human PC3 cells by MTT assay | 24374273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24374273 | 10.1016/j.bmcl.2013.12.049 | NON-PROTEIN TARGET | 2 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | LoVo | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | PC-3 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | SK-MEL-28 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | A549 | 1 |
| 33333397 | 10.1016/j.ejmech.2020.113084 | Plasmodium falciparum | 1 |
| 33333397 | 10.1016/j.ejmech.2020.113084 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine