Compound Detail
CHEMBL1230806
VALIENAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1230806 |
| Name | VALIENAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPHOBMULWMGEBA-VZFHVOOUSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
-2.67
ALogP
5
HBA
5
HBD
106.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal CHEMBL2748 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
| Maltase-glucoamylase CHEMBL2074 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal | IC50 | = | 53000.0 | nM | 4.28 | Alpha-D-glucosidase inhibitory activity and enzyme inhibition in vitro against p... | 3519969 |
| Unchecked | IC50 | = | 91000.0 | nM | 4.04 | Inhibition of rat intestinal alpha-glucosidase | 36680985 |
| Maltase-glucoamylase | IC50 | = | 100000.0 | nM | 4.0 | Compound was tested for inhibitory activity against alpha-glucosidase. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21840710 | 10.1016/j.bmcl.2011.07.046 | Unchecked | 3 |
| - | 10.1016/0960-894X(96)00146-1 | Lysosomal acid glucosylceramidase | 1 |
| - | 10.1016/0960-894X(96)00146-1 | Unchecked | 1 |
| - | 10.1016/0960-894X(96)00146-1 | Maltase-glucoamylase | 1 |
| 3519969 | 10.1021/jm00156a023 | Maltase-glucoamylase | 1 |
| 3519969 | 10.1021/jm00156a023 | Sucrase-isomaltase, intestinal | 1 |
| 36680985 | 10.1016/j.ejmech.2023.115119 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine