MetaADEDB 2.0 @ LMMD
casopitant
(XGGTZCKQRWXCHW-WMTVXVAQSA-N)
Structure
SMILES
Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C
Type(s)
Investigational
ATC code(s)
A04AD13
Molecular Formula:
C30H35F7N4O2
Molecular Weight:
616.613
Log P:
6.4680
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
0
TPSA:
47.1
CAS Number(s):
414910-27-3; 852393-14-7
Synonym(s)
1.
casopitant
2.
casopitant mesylate
External Link(s)
MeSHC531951
PubChem Compound9917021
BindingDB50336575
ChEBI135967
CHEMBLCHEMBL1672054
DrugBankDB06634
DrugCentral4401
IUPHAR/BPS Guide to PHARMACOLOGY5758
Therapeutic Target DatabaseD00ZGA
ZINC42856596
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Anxiety Disorders21229983CTD
2Depressive disorder21229983CTD
3Heart Diseases21422262CTD
4Vomiting19805683CTD
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