Compound Detail
CHEMBL407862
NILE BLUE HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL407862 |
| Name | NILE BLUE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHXOKQKTZJXHHR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185333 |
| Active Moiety | CHEMBL1185333 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.48
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.27
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.81 | 7.81 | 15.6 | 1 |
| L6 CHEMBL614793 | IC50 | 4.37 | 4.37 | 43140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 15.6 | nM | 7.81 | Antimalarial activity against chloroquine and pyrimethamine resistant Plasmodium... | 24900219 |
| L6 | IC50 | = | 43140.0 | nM | 4.37 | Cytotoxicity against rat L6 cells | 24900219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900219 | 10.1021/ml100120a | Plasmodium berghei | 2 |
| 18180161 | 10.1016/j.bmc.2007.12.013 | Saccharomyces cerevisiae | 1 |
| 24900219 | 10.1021/ml100120a | Plasmodium falciparum | 1 |
| 24900219 | 10.1021/ml100120a | L6 | 1 |
| 24900219 | 10.1021/ml100120a | Unchecked | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine