| Synonyms: | |
| Status: | Approved (1976) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AB03 |
| UNII: | D8K2JPN18B |
Structure
| InChI Key | UPSPUYADGBWSHF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.29 |
| AlogP | 2.19 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 59.3 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | - | - | 87800-87800 | - | |
|
Enzyme
Oxidoreductase
|
- | 2390 | - | - | - | |
|
Secreted protein
|
- | 90 | - | - | - |
Indications
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 71941 |
| ChEMBL | CHEMBL1020 |
| DrugBank | DB00500 |
| DrugCentral | 2699 |
| EPA CompTox | DTXSID2043951 |
| FDA SRS | D8K2JPN18B |
| Human Metabolome Database | HMDB0014643 |
| Guide to Pharmacology | 7311 |
| KEGG | C07149 |
| PDB | TLT |
| PharmGKB | PA451721 |
| PubChem | 5509 |
| SureChEMBL | SCHEMBL3150 |
| ZINC | ZINC000000002191 |
CONTENTS