Compound Detail
CHEMBL406972
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Basic Information
| ChEMBL ID | CHEMBL406972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJRUOSSQTZGFJV-NYMZXIIRSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
-3.61
ALogP
6
HBA
6
HBD
113.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| Glycogen debranching enzyme CHEMBL5272 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3905000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2936000.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 920.0 | nM | 6.04 | Inhibition of rat intestinal alpha-glucosidase using sucrose as substrate assess... | 23993676 |
| Glycogen debranching enzyme | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of amylo-1,6-glucosidase | 18258441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993676 | 10.1016/j.bmc.2013.07.048 | Mus musculus | 8 |
| 18258441 | 10.1016/j.bmc.2008.01.032 | Glycogen debranching enzyme | 1 |
| 18258441 | 10.1016/j.bmc.2008.01.032 | Unchecked | 1 |
| 23993676 | 10.1016/j.bmc.2013.07.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine