6-methylbenzo(b)thiophene-2-carboxylic acid (1-(2-phenyl-((1-(tetrahydropyran-4-ylmethyl)piperidin-4-ylmethyl)carbamoyl)ethylcarbamoyl)cyclophenyl)amide: a tachykinin NK2 receptor antagonist; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 11527495 |
| CHEMBL ID | 266125 |
| SCHEMBL ID | 464393 |
| MeSH ID | M0555911 |
| Synonym |
|---|
| 6-methyl-n-[1-[[(2r)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide |
| men 15596 |
| gtpl2117 |
| ibodutant |
| men-15596 |
| CHEMBL266125 |
| men15596 |
| 522664-63-7 |
| 1h7rsq28bj , |
| unii-1h7rsq28bj |
| 6-methylbenzo(b)thiophene-2-carboxylic acid (1-(2-phenyl-((1-(tetrahydropyran-4-ylmethyl)piperidin-4-ylmethyl)carbamoyl)ethylcarbamoyl)cyclophenyl)amide |
| benzo(b)thiophene-2-carboxamide, 6-methyl-n-(1-((((1r)-2-oxo-1-(phenylmethyl)-2-(((1-((tetrahydro-2h-pyran-4-yl)methyl)-4-piperidinyl)methyl)amino)ethyl)amino)carbonyl)cyclopentyl)- |
| ibodutant [inn] |
| 6-methyl-n-(1-(((2r)-1-((1-(oxan-4-ylmethyl)piperidin-4- yl)methylamino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)cyclopentyl)-1-benzothiophene-2-carboxamide |
| ibodutant [who-dd] |
| SCHEMBL464393 |
| bdbm50476750 |
| c37h48n4o4s |
| DB12042 |
| HY-14770 |
| CS-0003551 |
| Q5984345 |
| (r)-6-methyl-n-(1-((1-oxo-3-phenyl-1-(((1-((tetrahydro-2h-pyran-4-yl)methyl)piperidin-4-yl)methyl)amino)propan-2-yl)carbamoyl)cyclopentyl)benzo[b]thiophene-2-carboxamide |
| DTXSID20966639 |
| AKOS040742116 |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Ki | 0.0001 | 0.0000 | 0.1234 | 5.5000 | AID298231 |
| Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Ki | 0.0001 | 0.0000 | 0.1082 | 5.5000 | AID298231 |
| Substance-K receptor | Homo sapiens (human) | Ki | 0.0001 | 0.0001 | 1.9242 | 9.7930 | AID298231 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| tachykinin receptor activity | Substance-K receptor | Homo sapiens (human) |
| protein binding | Substance-K receptor | Homo sapiens (human) |
| substance K receptor activity | Substance-K receptor | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Substance-K receptor | Homo sapiens (human) |
| sperm flagellum | Substance-K receptor | Homo sapiens (human) |
| sperm head | Substance-K receptor | Homo sapiens (human) |
| sperm midpiece | Substance-K receptor | Homo sapiens (human) |
| sperm midpiece | Substance-K receptor | Homo sapiens (human) |
| plasma membrane | Substance-K receptor | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID298234 | Antagonist activity at NK2 receptor in human isolated urinary bladder assessed as effect on neurokinin A-induced contractile response | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298240 | Inhibition of [beta-Ala8]NKA(4-10) induced colonic contraction in guinea pig at 10 to 30 umol/kg, po | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298232 | Apparent permeability across human Caco-2 cells | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298238 | Inhibition of [beta-Ala8]NKA(4-10) induced colonic contraction in iv dosed guinea pig | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298237 | Inhibition of [beta-Ala8]NKA(4-10) induced colonic contraction in Albino guinea pig at 10 umol/kg, id relative to control | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298235 | Inhibition of [beta-Ala8]NKA(4-10) induced colonic contraction in Albino guinea pig at 3 umol/kg, iv relative to control | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298239 | Inhibition of [beta-Ala8]NKA(4-10) induced colonic contraction in id dosed guinea pig | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298233 | Antagonist activity at NK2 receptor in Dunkin Hartley guinea pig circular smooth muscles assessed as effect on [beta-Ala8]NKA(4-10) induced contractions | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298231 | Displacement of [125I]neurokinin A from human recombinant NK2 receptor | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID298236 | Inhibition of [beta-Ala8]NKA(4-10) induced colonic contraction in Albino guinea pig at 1 umol/kg, iv relative to control | 2007 | Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20 | Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. |
| AID1346371 | Human NK2 receptor (Tachykinin receptors) | 2006 | European journal of pharmacology, Nov-07, Volume: 549, Issue:1-3 | MEN15596, a novel nonpeptide tachykinin NK2 receptor antagonist. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 3 (27.27) | 29.6817 |
| 2010's | 7 (63.64) | 24.3611 |
| 2020's | 1 (9.09) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (25.45) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 1 (9.09%) | 5.53% |
| Reviews | 1 (9.09%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 9 (81.82%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||