Compound Detail
CHEMBL491544
THALIFENDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL491544 |
| Name | THALIFENDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKDAYMOWDPMRHC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1187148 |
| Active Moiety | CHEMBL1187148 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
2.79
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 5.1 | 7910.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 4.59 | 4.59 | 25670.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.55 | 4.55 | 28260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7910.0 | nM | 5.1 | Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in... | 11141105 |
| SK-MEL-2 | IC50 | = | 25670.0 | nM | 4.59 | Cytotoxicity against human SK-MEL-2 cells by SRB assay | 20594848 |
| A549 | IC50 | = | 28260.0 | nM | 4.55 | Cytotoxicity against human A549 cells by SRB assay | 20594848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19800225 | 10.1016/j.bmcl.2009.09.059 | HepG2 | 4 |
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | A549 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | SK-OV-3 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | SK-MEL-2 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | HCT-15 | 1 |
| 31821990 | 10.1016/j.ejmech.2019.111951 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine