| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | GGD30112WC |
Structure
| InChI Key | WDZVGELJXXEGPV-YIXHJXPBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Cl2N4 |
| Molecular Weight | 231.09 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 74.26 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Primary Target | |
|---|---|
| α2A-adrenoceptor | |
| α2B-adrenoceptor | |
| α2C-adrenoceptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 83 | |
|
Enzyme
Oxidoreductase
|
- | - | - | - | 20 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | 2 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Trace amine receptor
|
90 | - | - | - | - | |
|
Other cytosolic protein
|
- | - | - | 35-35 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 4850 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Sclerosis, Relapsing-Remitting | 1 | D020529 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5051-62-7 |
| ChEBI | 5553 |
| ChEMBL | CHEMBL420 |
| DrugCentral | 3952 |
| FDA SRS | GGD30112WC |
| Guide to Pharmacology | 5443 |
| KEGG | C07034 |
| PharmGKB | PA164774903 |
| PubChem | 5702063 |
| SureChEMBL | SCHEMBL15389 |
| ZINC | ZINC000000001522 |
CONTENTS