Compound Detail
CHEMBL1236395
TREHALOSE 🧪 Phase III
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🧪 Phase III
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1236395 |
| Name | TREHALOSE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | HDTRYLNUVZCQOY-LIZSDCNHSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
15
Publications
6
Known Names
7
Indications
Molecular Properties
342.3
MW (Da)
-5.40
ALogP
11
HBA
8
HBD
189.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Oligosaccharide |
| Chirality | Single Enantiomer |
Indications
Bipolar Disorder Acute Coronary Syndrome Amyotrophic Lateral Sclerosis Machado-Joseph Disease Muscular Dystrophy, Oculopharyngeal Non-alcoholic Fatty Liver Disease Alzheimer Disease
Activity Summary
Kd 1 meas. best 4.44
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trehalose-binding lipoprotein LpqY CHEMBL5169230 | Kd | 4.44 | 4.44 | 36100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 8.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trehalose-binding lipoprotein LpqY | Kd | = | 36100.0 | nM | 4.44 | Binding affinity to RED-NHS labelled Mycobacterium tuberculosis LpqY expressed i... | 36320433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25172417 | 10.1016/j.bmcl.2014.07.077 | Amyloid-beta precursor protein | 13 |
| 28475972 | 10.1016/j.ejmech.2017.04.060 | Amyloid-beta precursor protein | 5 |
| - | 10.1039/C2MD20112G | Mus musculus | 4 |
| 28192710 | 10.1016/j.ejmech.2017.02.001 | Unchecked | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.1039/C2MD20112G | Huntingtin | 3 |
| 25172417 | 10.1016/j.bmcl.2014.07.077 | NON-PROTEIN TARGET | 2 |
| 28192710 | 10.1016/j.ejmech.2017.02.001 | Trehalose-phosphatase | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 36320433 | 10.1039/d2md00104g | Trehalose-binding lipoprotein LpqY | 2 |
| 25172417 | 10.1016/j.bmcl.2014.07.077 | ADMET | 1 |
| 25893085 | 10.1039/c4md00512k | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine