Compound Detail
CHEMBL3604376
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Basic Information
| ChEMBL ID | CHEMBL3604376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVWGQSKNAUDYDD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
5.67
ALogP
6
HBA
2
HBD
66.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.0 | 7.81 | 10.0 | 2 |
| CHO CHEMBL613853 | IC50 | 5.12 | 5.12 | 7584.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10.0 | nM | 8.0 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54... | 26264839 |
| Plasmodium falciparum | IC50 | = | 24.0 | nM | 7.62 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 inf... | 26264839 |
| CHO | IC50 | = | 7584.0 | nM | 5.12 | Cytotoxicity against CHO cells by MTT assay | 26264839 |
| No relevant target | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of beta haematin formation after 5 to 6 hrs by pyridine-ferrichrome m... | 26264839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26264839 | 10.1016/j.bmc.2015.07.051 | Plasmodium falciparum | 3 |
| 26264839 | 10.1016/j.bmc.2015.07.051 | No relevant target | 2 |
| 26264839 | 10.1016/j.bmc.2015.07.051 | Plasmodium berghei | 2 |
| 26264839 | 10.1016/j.bmc.2015.07.051 | CHO | 1 |
| 26264839 | 10.1016/j.bmc.2015.07.051 | Unchecked | 1 |
| 26264839 | 10.1016/j.bmc.2015.07.051 | Liver microsome | 1 |
| 26264839 | 10.1016/j.bmc.2015.07.051 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine