BURAPITANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E35SK332MS

Structure
InChI Key ZLNYUCXXSDDIFU-UHFFFAOYSA-N
Smile CC(C)(C(N)=O)C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)CC1
InChI
InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44)

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H35Cl2F6N3O3
Molecular Weight 682.53
AlogP 6.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 75.87
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 45.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neurokinin 1 receptor antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Overactive 2 D053201 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3544947
FDA SRS E35SK332MS
PubChem 23649599
SureChEMBL SCHEMBL1281822
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