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=CC=CC=C45)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
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 |
|---|---|---|---|---|
| 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
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177707-12-9
Created by
admin on Mon Mar 31 21:34:01 GMT 2025 , Edited by admin on Mon Mar 31 21:34:01 GMT 2025
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NKP-608
Created by
admin on Mon Mar 31 21:34:01 GMT 2025 , Edited by admin on Mon Mar 31 21:34:01 GMT 2025
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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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DTXSID30432754
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987K1SBI71
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9917079
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admin on Mon Mar 31 21:34:01 GMT 2025 , Edited by admin on Mon Mar 31 21:34:01 GMT 2025
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ACTIVE MOIETY