| Synonyms: | |
| Status: | Approved (1964) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | V03AB04 |
| UNII: | P7MU9UTP52 |
Structure
| InChI Key | JBKPUQTUERUYQE-UHFFFAOYSA-O |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N2O+ |
| Molecular Weight | 137.16 |
| AlogP | 0.32 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 36.47 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Primary Target | |
|---|---|
| acetylcholinesterase (Cartwright blood group) |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 340000-878000 | 140000 | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -1.6-0.38 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Organophosphate Poisoning | 3 | D062025 | ClinicalTrials |
| Poisoning | 1 | D011041 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6735-59-7 |
| ChEBI | 8354 |
| ChEMBL | CHEMBL1420 |
| DrugBank | DB00733 |
| DrugCentral | 2231 |
| EPA CompTox | DTXSID1044144 |
| FDA SRS | P7MU9UTP52 |
| Human Metabolome Database | HMDB14871 |
| Guide to Pharmacology | 7597 |
| KEGG | C07400 |
| PubChem | 6789253 |
| SureChEMBL | SCHEMBL439968 |
| ZINC | ZINC000004577910 |
CONTENTS