Compound Detail
CHEMBL452249
NGOUNIENSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL452249 |
| Name | NGOUNIENSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDILDUDBLULMER-RDTXWAMCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
4.23
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.75 | 4.6733 | 17800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 17800.0 | nM | 4.75 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCB1... | 12398531 |
| Plasmodium falciparum | IC50 | = | 20200.0 | nM | 4.7 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2/I... | 12398531 |
| Plasmodium falciparum | IC50 | = | 26800.0 | nM | 4.57 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCA ... | 12398531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12398531 | 10.1021/np020070e | Plasmodium falciparum | 6 |
Data from ChEMBL 36 via Core Engine