Compound Detail
CHEMBL486025
OCHROLIFUANINE E Enter ChEMBL ID:
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CC[C@H]1CN2CCC3c4ccccc4NC3[C@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21
Basic Information
| ChEMBL ID | CHEMBL486025 |
| Name | OCHROLIFUANINE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPRCHZNIQPXBQO-QTZZMGCWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
5.44
ALogP
3
HBA
3
HBD
43.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.56 | 6.1433 | 276.0 | 3 |
| HCT-116 CHEMBL394 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 276.0 | nM | 6.56 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCA ... | 12398531 |
| Plasmodium falciparum | IC50 | = | 702.0 | nM | 6.15 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCB1... | 12398531 |
| Plasmodium falciparum | IC50 | = | 1900.0 | nM | 5.72 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2/I... | 12398531 |
| HCT-116 | IC50 | = | 5700.0 | nM | 5.24 | Cytotoxicity against human HCT116 cells after 72 hrs by WST1 assay | 12398531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12398531 | 10.1021/np020070e | Plasmodium falciparum | 6 |
| 12398531 | 10.1021/np020070e | Unchecked | 3 |
| 12398531 | 10.1021/np020070e | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine