| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 448J8E5BST |
Structure
| InChI Key | YNPNZTXNASCQKK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H10 |
| Molecular Weight | 178.23 |
| AlogP | 3.99 |
| Hydrogen Bond Acceptor | 0.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 0.0 |
| Molecular species | None |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2A
Cytochrome P450 2A5
|
- | 26000-26002 | - | - | - | |
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2A
Cytochrome P450 2A6
|
- | 97000-97051 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tobacco Use Disorder | 1 | D014029 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 28851 |
| ChEMBL | CHEMBL46730 |
| EPA CompTox | DTXSID6024254 |
| FDA SRS | 448J8E5BST |
| KEGG | C11422 |
| PDB | PEY |
| PubChem | 995 |
| SureChEMBL | SCHEMBL7643 |
| ZINC | ZINC000000967819 |
CONTENTS