| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M01AE06 |
| UNII: | 17SZX404IM |
Structure
| InChI Key | MITFXPHMIHQXPI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H12ClNO3 |
| Molecular Weight | 301.73 |
| AlogP | 4.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.33 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 99100 | - | - | - |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 76114 |
| ChEMBL | CHEMBL340978 |
| DrugBank | DB04812 |
| DrugCentral | 311 |
| EPA CompTox | DTXSID4022650 |
| FDA SRS | 17SZX404IM |
| PubChem | 39941 |
| SureChEMBL | SCHEMBL24413 |
CONTENTS