Details
Stereochemistry | ACHIRAL |
Molecular Formula | C29H29F6N3O2 |
Molecular Weight | 565.5499 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CN=C(C=C2C3=CC=CC=C3C)N4CCOCC4
InChI
InChIKey=ZGNPLCMMVKCTHM-UHFFFAOYSA-N
InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
Molecular Formula | C29H29F6N3O2 |
Molecular Weight | 565.5499 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Befetupitant (Ro67-5930) is a high-affinity, competitive, tachykinin 1 receptor (NK1R) antagonist that was initially invented by Hoffmann-La Roche as a potential antiemetic drug. These studies were discontinued, because of the clinical trials with the more suitable drug, netupitant. Befetupitant was also investigated for topical application to reduced corneal neovascularization in the alkali burn model. However, the drug was toxic and was not tested in the suture model.
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL249 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25228541 |
1.0 nM [Ki] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:29:43 GMT 2023
by
admin
on
Fri Dec 15 15:29:43 GMT 2023
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Record UNII |
RSH7NDI7MI
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C265
Created by
admin on Fri Dec 15 15:29:43 GMT 2023 , Edited by admin on Fri Dec 15 15:29:43 GMT 2023
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C508855
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C78006
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300000034096
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RSH7NDI7MI
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DTXSID90183270
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290296-68-3
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8392
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Befetupitant
Created by
admin on Fri Dec 15 15:29:43 GMT 2023 , Edited by admin on Fri Dec 15 15:29:43 GMT 2023
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6450815
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RR-92
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CHEMBL204694
Created by
admin on Fri Dec 15 15:29:43 GMT 2023 , Edited by admin on Fri Dec 15 15:29:43 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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