Synonyms: | |
Status: | Approved (2023) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N06AX19 |
UNII: | JW5Y7B8Z18 |
InChI Key | QOIGKGMMAGJZNZ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H29N5O2 |
Molecular Weight | 359.47 |
AlogP | 1.55 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 69.64 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 26.0 |
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
Adrenergic receptor
|
- | - | - | 2400 | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | - | 58-4320 | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
288 | 114 | 79 | 13-32 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 83928-76-1 |
ChEBI | 135990 |
ChEMBL | CHEMBL284092 |
DrugBank | DB12184 |
DrugCentral | 4562 |
EPA CompTox | DTXSID90232813 |
FDA SRS | JW5Y7B8Z18 |
PubChem | 55191 |
SureChEMBL | SCHEMBL79040 |
ZINC | ZINC000002021499 |