VESTIPITANT MESYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OWR424W90Q

Structure
InChI Key BHECXGHXWKHZOY-DXPOFMJKSA-N
Smile CS(=O)(=O)O.Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI
InChI=1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28F7N3O4S
Molecular Weight 587.56
AlogP 5.93
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 35.58
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neurokinin 1 receptor antagonist PubMed

Cross References

Resources Reference
ChEMBL CHEMBL2104992
EPA CompTox DTXSID10187093
FDA SRS OWR424W90Q
PubChem 24969622
SureChEMBL SCHEMBL14335197
CONTENTS