Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C31H24ClF6N3O2 |
Molecular Weight | 619.985 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
FC(F)(F)C1=CC(=CC(=C1)C(=O)N2CC[C@@H](C[C@H]2CC3=CC=C(Cl)C=C3)NC(=O)C4=CC=NC5=C4C=CC=C5)C(F)(F)F
InChI
InChIKey=NXLUTEDAEFXMQR-BJKOFHAPSA-N
InChI=1S/C31H24ClF6N3O2/c32-22-7-5-18(6-8-22)13-24-17-23(40-28(42)26-9-11-39-27-4-2-1-3-25(26)27)10-12-41(24)29(43)19-14-20(30(33,34)35)16-21(15-19)31(36,37)38/h1-9,11,14-16,23-24H,10,12-13,17H2,(H,40,42)/t23-,24+/m0/s1
Molecular Formula | C31H24ClF6N3O2 |
Molecular Weight | 619.985 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: http://www.businesswire.com/news/home/20060925005468/en/Avera-Pharmaceuticals-Completes-Enrollment-Phase-2-SocialCurator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/22221140
Sources: http://www.businesswire.com/news/home/20060925005468/en/Avera-Pharmaceuticals-Completes-Enrollment-Phase-2-Social
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/22221140
AV608, a 4-aminopiperidine derivative, is a selective, specific, long-acting, orally active and potent nonpeptidic antagonist of the NK-1 receptor. AV-608 had been in phase II clinical trials for the treatment of social phobia and overactive bladder (OAB). This compound was originally discovered by Novartis, and then licensed to Areva Pharmaceuticals in October 2003. Addition this drug was in phase I clinical trial for the treatment of Irritable Bowel Syndrome (IBS), this disease is characterized by chronic abdominal pain and frequent comorbid anxiety. The substance P ⁄ neurokinin-1 receptor system is implicated in the regulation of both pain and anxiety, suggesting a potential therapeutic target in IBS. However, the researches on this drug candidate were discontinued in 2010.
CNS Activity
Sources: https://clinicaltrials.gov/ct2/show/NCT00294346
Curator's Comment: https://clinicaltrials.gov/ct2/show/NCT00294346
Originator
Sources: http://www.businesswire.com/news/home/20060925005468/en/Avera-Pharmaceuticals-Completes-Enrollment-Phase-2-Social
Curator's Comment: # Novartis
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL249 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22221140 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Primary | Unknown Approved UseUnknown |
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Palliative | Unknown Approved UseUnknown |
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Palliative | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT00294346
Unknown
Route of Administration:
Oral
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:51:55 GMT 2023
by
admin
on
Sat Dec 16 05:51:55 GMT 2023
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Record UNII |
987K1SBI71
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Record Status |
Validated (UNII)
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NKP-608
Created by
admin on Sat Dec 16 05:51:55 GMT 2023 , Edited by admin on Sat Dec 16 05:51:55 GMT 2023
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PRIMARY | Jul 19, 2010 <b>...</b> <b>AV 608</b> is a neurokinin-1 (NK-1) substance P antagonist that was being developed by Avera Pharmaceuticals. This orally administered drug??... | ||
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987K1SBI71
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9917079
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