Compound Detail
CHEMBL1775014
CUPACINOXEPIN Enter ChEMBL ID:
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CC1(C)OC(=O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@]5(C)C(C)(C)CCC[C@]45C)O[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1775014 |
| Name | CUPACINOXEPIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOSNTVJOXIRCCT-ISLDYSMMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.8
MW (Da)
8.10
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.14 | 4.14 | 71600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8700.0 | nM | 5.06 | Antiplasmodial activity against chloroquine- and pyrimethamine-resistant Plasmod... | 21438586 |
| Trypanosoma brucei rhodesiense | IC50 | = | 71600.0 | nM | 4.14 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB 900 bloodstre... | 21438586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21438586 | 10.1021/np100415m | Plasmodium falciparum | 1 |
| 21438586 | 10.1021/np100415m | Trypanosoma brucei rhodesiense | 1 |
| 21438586 | 10.1021/np100415m | L6 | 1 |
Data from ChEMBL 36 via Core Engine