Trade Names: | |
Synonyms: | |
Status: | Approved (2015) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 57O5S1QSAQ |
Parent Compound: | ROLAPITANT |
InChI Key | GZQWMYVDLCUBQX-WVZIYJGPSA-N |
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Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C25H29ClF6N2O3 |
Molecular Weight | 554.96 |
AlogP | 5.73 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 50.36 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 35.0 |
Action | Mechanism of Action | Reference |
---|---|---|
ANTAGONIST | Neurokinin 1 receptor antagonist | DailyMed |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Nausea | 4 | D009325 | FDA |
Sarcoma | 2 | D012509 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 90911 |
ChEMBL | CHEMBL3707330 |
EPA CompTox | DTXSID70238570 |
FDA SRS | 57O5S1QSAQ |
PubChem | 16203739 |
SureChEMBL | SCHEMBL2173125 |