Compound Detail
CHEMBL1257003
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Basic Information
| ChEMBL ID | CHEMBL1257003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSRMHXWCTRFVHK-NYYWCZLTSA-N |
9
Targets
14
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
437.2
MW (Da)
3.21
ALogP
6
HBA
3
HBD
110.8
PSA (Ų)
0.22
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 6.55
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal(3)malignant brain tumor-like protein 1 CHEMBL1287622 | IC50 | 6.55 | 6.55 | 282.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 5.3567 | 751.7 | 3 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 6.0 | 5.85 | 1000.0 | 2 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.34 | 5.24 | 4560.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.23 | 5.23 | 5880.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.8 | 4.8 | 15848.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 2 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 28478342 | 10.1016/j.ejmech.2017.04.047 | Lethal(3)malignant brain tumor-like protein 1 | 1 |
| 32184968 | 10.1021/acsmedchemlett.9b00402 | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 1 |
| 37252102 | 10.1039/d3md00039g | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 1 |
| 36167010 | 10.1016/j.ejmech.2022.114753 | dengue virus type 2 | 1 |
Data from ChEMBL 36 via Core Engine