| Synonyms: | |
| Status: | Approved (1948) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N07AB02 |
| UNII: | 004F72P8F4 |
Structure
| InChI Key | NZUPCNDJBJXXRF-UHFFFAOYSA-O |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H17N2O2+ |
| Molecular Weight | 161.22 |
| AlogP | 0.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.32 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Primary Target | |
|---|---|
| M2 receptor | |
| M3 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
1000-1413 | - | 12589 | 97 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Eosinophilic Esophagitis | 2 | D057765 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
| Pancreatic Neoplasms | 0 | D010190 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 674-38-4 |
| ChEBI | 3084 |
| ChEMBL | CHEMBL1482 |
| DrugBank | DB01019 |
| DrugCentral | 358 |
| EPA CompTox | DTXSID5048398 |
| FDA SRS | 004F72P8F4 |
| Human Metabolome Database | HMDB0015154 |
| Guide to Pharmacology | 297 |
| KEGG | C06850 |
| PharmGKB | PA448613 |
| PubChem | 2370 |
| SureChEMBL | SCHEMBL37096 |
CONTENTS