Compound Detail
CHEMBL1338317
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Basic Information
| ChEMBL ID | CHEMBL1338317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQBINQNEBDVFFF-UHFFFAOYSA-N |
7
Targets
12
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
2.67
ALogP
7
HBA
0
HBD
71.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.97 | 5.23 | 1080.0 | 3 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.12 | 5.12 | 7500.0 | 2 |
| Phosphoethanolamine/phosphocholine phosphatase CHEMBL6113 | IC50 | 5.12 | 5.045 | 7500.0 | 2 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 4.96 | 4.96 | 11016.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.9 | 4.9 | 12490.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
| Phosphomannomutase 2 CHEMBL1741162 | IC50 | 4.53 | 4.525 | 29800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Phosphoethanolamine/phosphocholine phosphatase | 1 |
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Mannose-6-phosphate isomerase | 1 |
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Phosphomannomutase 2 | 1 |
Data from ChEMBL 36 via Core Engine