Compound Detail
CHEMBL389294
NECTRISINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL389294 |
| Name | NECTRISINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUPCOXZVKXONSC-UOWFLXDJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
131.1
MW (Da)
-1.85
ALogP
4
HBA
3
HBD
73.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Ki 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucoamylase, intracellular sporulation-specific CHEMBL1075248 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.59 | 2200.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucoamylase, intracellular sporulation-specific | IC50 | = | 40.0 | nM | 7.4 | Inhibition of yeast alpha-D-glucosidase | 17434740 |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of almond beta-D-glucosidase | 17434740 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of jack bean alpha-D-mannosidase | 17434740 |
| Unchecked | Ki | = | 42000.0 | nM | 4.38 | Inhibition of Aspergillus wentii beta-D-mannosidase | 17434740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434740 | 10.1016/j.bmc.2007.03.073 | Unchecked | 3 |
| 17434740 | 10.1016/j.bmc.2007.03.073 | Glucoamylase, intracellular sporulation-specific | 1 |
Data from ChEMBL 36 via Core Engine