Compound Detail
CHEMBL1310318
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Basic Information
| ChEMBL ID | CHEMBL1310318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUIZTXXZBDUOCR-UHFFFAOYSA-N |
8
Targets
15
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
3.50
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 6.19 | 6.19 | 648.1 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.67 | 5.25 | 2150.0 | 3 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.54 | 5.3767 | 2900.0 | 3 |
| Hexokinase CHEMBL1741201 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.17 | 5.17 | 6728.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.04 | 5.04 | 9020.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.73 | 4.525 | 18640.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21539312 | 10.1021/jm101401a | Mannose-6-phosphate isomerase | 1 |
| 21539312 | 10.1021/jm101401a | Phosphomannomutase 2 | 1 |
Data from ChEMBL 36 via Core Engine