Compound Detail
CHEMBL1476463
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Basic Information
| ChEMBL ID | CHEMBL1476463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUBJEDZHBUPBKL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
426.1
MW (Da)
4.24
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.78 | 5.78 | 1672.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.44 | 5.44 | 3657.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Dynamin-1 CHEMBL4958 | IC50 | 4.68 | 4.68 | 20700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1672.0 | nM | 5.78 | Antimalarial activity against Plasmodium falciparum NF54 infected in human eryth... | 27312008 |
| L6 | IC50 | = | 3657.0 | nM | 5.44 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 27312008 |
| Unchecked | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of clathrin-mediated endocytosis in serum-starved human U2OS cells as... | 36577213 |
| Dynamin-1 | IC50 | = | 20700.0 | nM | 4.68 | Inhibition of phosphotidylserine liposome-stimulated Dynamin 1 (unknown origin) ... | 36577213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 25453797 | 10.1016/j.bmcl.2014.10.039 | Pseudomonas aeruginosa | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | HSP90 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | L6 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | Plasmodium falciparum | 1 |
| 36577213 | 10.1016/j.ejmech.2022.115001 | Dynamin-1 | 1 |
| 36577213 | 10.1016/j.ejmech.2022.115001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine