| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UKNOWN |
| UNII: | X31CDK040E |
Structure
| InChI Key | JWPGJSVJDAJRLW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13N3 |
| Molecular Weight | 175.24 |
| AlogP | 0.94 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 53.11 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 23800 | - | - | - |
Indications
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 34665 |
| ChEMBL | CHEMBL169901 |
| DrugBank | DB04840 |
| DrugCentral | 788 |
| EPA CompTox | DTXSID7022885 |
| FDA SRS | X31CDK040E |
| Human Metabolome Database | HMDB0006543 |
| KEGG | C13650 |
| PharmGKB | PA452616 |
| SureChEMBL | SCHEMBL309184 |
| ZINC | ZINC000003594299 |
CONTENTS