| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 430K3SOZ7G |
Structure
| InChI Key | WAOQONBSWFLFPE-VIFPVBQESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H20Cl2N2O3 |
| Molecular Weight | 347.24 |
| AlogP | 2.92 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 61.8 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 1-32 | 1-7 | 1-33 | 89-95 |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84225-95-6 |
| ChEBI | 92070 |
| ChEMBL | CHEMBL8809 |
| DrugBank | DB12518 |
| EPA CompTox | DTXSID9045687 |
| FDA SRS | 430K3SOZ7G |
| Guide to Pharmacology | 94 |
| PubChem | 3033769 |
| SureChEMBL | SCHEMBL116054 |
| ZINC | ZINC000025757754 |
CONTENTS