Compound Detail
CHEMBL505314
MATOPENSINE Enter ChEMBL ID:
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C/C=C1\CN2CC[C@]34c5ccccc5N5[C@@H]6O[C@H]([C@H]([C@H]53)[C@H]1C[C@H]24)N1c2ccccc2[C@]23CCN4C/C(=C/C)[C@H](C[C@H]42)[C@H]6[C@H]13
Basic Information
| ChEMBL ID | CHEMBL505314 |
| Name | MATOPENSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGUHLKNFTRXXAT-PYIQEYRBSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
570.8
MW (Da)
5.28
ALogP
5
HBA
0
HBD
22.2
PSA (Ų)
0.40
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.61 | 5.7033 | 243.0 | 6 |
| HCT-116 CHEMBL394 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 243.0 | nM | 6.61 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2/I... | 12398531 |
| Plasmodium falciparum | IC50 | = | 362.0 | nM | 6.44 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCB1... | 12398531 |
| Plasmodium falciparum | IC50 | = | 1250.0 | nM | 5.9 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCA ... | 12398531 |
| Plasmodium falciparum | IC50 | = | 4670.0 | nM | 5.33 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCB1... | 12398531 |
| Plasmodium falciparum | IC50 | = | 8660.0 | nM | 5.06 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2/I... | 12398531 |
| HCT-116 | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against human HCT116 cells after 72 hrs by WST1 assay | 12398531 |
| Plasmodium falciparum | IC50 | = | 13200.0 | nM | 4.88 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCA ... | 12398531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12398531 | 10.1021/np020070e | Plasmodium falciparum | 12 |
| 12398531 | 10.1021/np020070e | Unchecked | 3 |
| 12398531 | 10.1021/np020070e | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine