Compound Detail
CHEMBL447169
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Basic Information
| ChEMBL ID | CHEMBL447169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZQDCDLYNFZBIG-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.29
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.17 | 5.045 | 6800.0 | 4 |
| TGBC11TKB CHEMBL2366374 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
| CCRF-HSB-2 CHEMBL614541 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
| Cathepsin L2 CHEMBL3272 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6800.0 | nM | 5.17 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FcM2... | 11575960 |
| Plasmodium falciparum | IC50 | = | 8700.0 | nM | 5.06 | Antiplasmodial activity after 72 hrs against chloroquine-sensitive Plasmodium fa... | 11575960 |
| Plasmodium falciparum | IC50 | = | 10200.0 | nM | 4.99 | Antiplasmodial activity after 24 hrs against chloroquine-resistant Plasmodium fa... | 11575960 |
| Plasmodium falciparum | IC50 | = | 11100.0 | nM | 4.96 | Antiplasmodial activity after 24 hrs against chloroquine-sensitive Plasmodium fa... | 11575960 |
| TGBC11TKB | IC50 | = | 16200.0 | nM | 4.79 | Antiproliferative activity against human TGBC11TKB cells after 3 days by alamar ... | 10217715 |
| CCRF-HSB-2 | IC50 | = | 23600.0 | nM | 4.63 | Antiproliferative activity against human CCRF-HSB-2 cells after 3 days by alamar... | 10217715 |
| Cathepsin L2 | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of human recombinant cathepsin V expressed in Pichia pastoris | 21277783 |
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 |
| 10217715 | 10.1021/np980504z | CCRF-HSB-2 | 1 |
| 10217715 | 10.1021/np980504z | TGBC11TKB | 1 |
| 10217715 | 10.1021/np980504z | A549 | 1 |
| 10217715 | 10.1021/np980504z | B16 | 1 |
| 21277783 | 10.1016/j.bmc.2010.12.056 | Cathepsin L2 | 1 |
| 21985060 | 10.1021/np2004825 | Plasmodium falciparum | 1 |
| 21985060 | 10.1021/np2004825 | Leishmania donovani | 1 |
| 21985060 | 10.1021/np2004825 | Trypanosoma brucei brucei | 1 |
| 21985060 | 10.1021/np2004825 | Vero | 1 |
| 21985060 | 10.1021/np2004825 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine