Synonyms: | |
Status: | Approved (1956) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | N05AA03 |
UNII: | O9M39HTM5W |
InChI Key | ZGUGWUXLJSTTMA-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H20N2S |
Molecular Weight | 284.43 |
AlogP | 4.24 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 6.48 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 20.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | - | - | 59100 | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 5400 | - | - | 65 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 1040 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | 1259 | - | - | - | |
Surface antigen
|
5000 | - | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 17200 | - | - | 79 | |
Transporter
|
- | 11300 | - | - | 79 |
Resources | Reference |
---|---|
ChEBI | 8459 |
ChEMBL | CHEMBL564 |
DrugBank | DB00420 |
DrugCentral | 2284 |
EPA CompTox | DTXSID2023517 |
FDA SRS | O9M39HTM5W |
Human Metabolome Database | HMDB0014564 |
Guide to Pharmacology | 7281 |
KEGG | C07379 |
PDB | P2Z |
PharmGKB | PA451126 |
PubChem | 4926 |
SureChEMBL | SCHEMBL140489 |
ZINC | ZINC000000010402 |