Compound Detail
CHEMBL76175
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Basic Information
| ChEMBL ID | CHEMBL76175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZINMNXQLRKZKD-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
407.3
MW (Da)
3.29
ALogP
3
HBA
2
HBD
81.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Ki 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.4 | 4.4 | 40000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | Ki | = | 4000.0 | nM | 5.4 | Compound was evaluated for the inhibition constant against phosphomannose isomer... | 9873532 |
| Mannose-6-phosphate isomerase | IC50 | = | 40000.0 | nM | 4.4 | Compound was tested for percentage inhibition of phosphomannose isomerase enzyme... | 9873532 |
| Mannose-6-phosphate isomerase | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of human purified phosphomannose isomerase | 21539312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873532 | 10.1016/s0960-894x(98)00417-x | Mannose-6-phosphate isomerase | 2 |
| 21539312 | 10.1021/jm101401a | Mannose-6-phosphate isomerase | 1 |
Data from ChEMBL 36 via Core Engine