Compound Detail
CHEMBL465847
CITRUSININE-II Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL465847 |
| Name | CITRUSININE-II |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEGXAAUCDUFHPJ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
1.82
ALogP
6
HBA
3
HBD
91.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.0
Ki 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin L2 CHEMBL3272 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
| Cathepsin L2 CHEMBL3272 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.7 | 4.61 | 20100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin L2 | Ki | = | 4200.0 | nM | 5.38 | Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Line... | 21277783 |
| Cathepsin L2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human recombinant cathepsin V expressed in Pichia pastoris | 21277783 |
| Plasmodium falciparum | IC50 | = | 20100.0 | nM | 4.7 | Antiplasmodial activity after 72 hrs against chloroquine-sensitive Plasmodium fa... | 11575960 |
| Plasmodium falciparum | IC50 | = | 20500.0 | nM | 4.69 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FcM2... | 11575960 |
| Plasmodium falciparum | IC50 | = | 27100.0 | nM | 4.57 | Antiplasmodial activity after 24 hrs against chloroquine-resistant Plasmodium fa... | 11575960 |
| Plasmodium falciparum | IC50 | = | 33000.0 | nM | 4.48 | Antiplasmodial activity after 24 hrs against chloroquine-sensitive Plasmodium fa... | 11575960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11575960 | 10.1021/np0005762 | Plasmodium falciparum | 4 |
| 11575960 | 10.1021/np0005762 | HeLa | 2 |
| 11575960 | 10.1021/np0005762 | Unchecked | 2 |
| 21277783 | 10.1016/j.bmc.2010.12.056 | Cathepsin L2 | 2 |
| 11520222 | 10.1021/np0005309 | COLO 205 | 1 |
| 11520222 | 10.1021/np0005309 | NON-PROTEIN TARGET | 1 |
| 11520222 | 10.1021/np0005309 | KB | 1 |
Data from ChEMBL 36 via Core Engine