| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1967) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 7318FJ13YJ |
Structure
| InChI Key | GFBKORZTTCHDGY-UWVJOHFNSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H29N3O2S2 |
| Molecular Weight | 443.64 |
| AlogP | 3.47 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 43.86 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Primary Target | |
|---|---|
| 5-HT2A receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 42 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 116 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 30400 | - | - | - |
Indications
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3313-26-6 |
| ChEBI | 9571 |
| ChEMBL | CHEMBL1201 |
| DrugBank | DB01623 |
| DrugCentral | 2639 |
| EPA CompTox | DTXSID2091542 |
| FDA SRS | 7318FJ13YJ |
| Human Metabolome Database | HMDB0015560 |
| Guide to Pharmacology | 212 |
| PharmGKB | PA451669 |
| PubChem | 941651 |
| SureChEMBL | SCHEMBL34305 |
| ZINC | ZINC000030690433 |
CONTENTS