Synonyms: | |
Status: | Approved (1994) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | R01AC04 |
UNII: | DHA8014SS1 |
InChI Key | REYFJDPCWQRWAA-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H19N3 |
Molecular Weight | 265.36 |
AlogP | 2.69 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 27.63 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 20.0 |
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
Histamine receptor
|
- | - | 72-72 | - | - |
Resources | Reference |
---|---|
CAS NUMBER | 91-75-8 |
ChEBI | 84115 |
ChEMBL | CHEMBL1305 |
DrugBank | DB08799 |
DrugCentral | 224 |
EPA CompTox | DTXSID3022613 |
FDA SRS | DHA8014SS1 |
Human Metabolome Database | HMDB0015689 |
Guide to Pharmacology | 7116 |
PubChem | 2200 |
SureChEMBL | SCHEMBL9437 |
ZINC | ZINC000000057204 |