| ID Source | ID |
|---|---|
| PubMed CID | 11524454 |
| CHEMBL ID | 591666 |
| CHEBI ID | 191023 |
| SCHEMBL ID | 691577 |
| MeSH ID | M0519752 |
| Synonym |
|---|
| 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid |
| cj-142794 |
| CHEMBL591666 , |
| benzoic acid, 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]- |
| CHEBI:191023 |
| 4-[(1s)-1-[[5-chloro-2-(4-luorophenoxy)benzoyl]amino]ethyl]benzoic acid |
| (s)-4-(1-(5-chloro-2-(4-fluorophenoxy)benzamido)ethyl)benzoic acid |
| 847728-01-2 |
| ANW-61958 , |
| AKOS016004978 |
| bdbm50355882 |
| rq-00015986 |
| cj 42794 |
| rq-15986 |
| cj-042794 |
| cj- 42794 |
| gtpl5857 |
| cj-42794 |
| 4-((s)-1-(2-(4-fluorophenoxy)-5-chlorobenzamido)ethyl)benzoic acid |
| SCHEMBL691577 |
| HY-10797 |
| CS-5287 |
| MWBNCZHVEXULBD-ZDUSSCGKSA-N , |
| 4-((1s)-1-{[5-chloro-2-(4-fluorophenoxy)benzoyl]amino}ethyl)benzoic acid |
| c22h17clfno4 |
| (s)-4-(1-(5-chloro-2-(4-fluorophenoxy)-benzamido)ethyl)benzoic acid |
| 4-{(1s)-1-[5-chloro-2-(4-fluorophenoxy)benzamido]ethyl}benzoic acid |
| DTXSID60468041 |
| Q27076086 |
| mfcd13184815 |
| AMY36728 |
| A914965 |
| 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid |
| F85329 |
| MS-27159 |
| XIB72801 |
| EX-A6417 |
| 4-((s)-1-(2-(4-fluorophenoxy)-5-chlorobenzamido) ethyl)benzoic acid |
| Excerpt | Relevance | Reference |
|---|---|---|
| " Structural modifications on lead compound 4a were explored with the aim of improving potency, physicochemical properties, and animal PK predictive of QD (once a day) dosing regimen in human." | ( Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. Nakao, K; Nukui, S; Okumura, Y; Yamagishi, T, 2017) | 0.46 |
| Class | Description |
|---|---|
| aromatic ether | Any ether in which the oxygen is attached to at least one aryl substituent. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | Homo sapiens (human) | IC50 (µMol) | 20.0000 | 0.0011 | 0.2254 | 0.4960 | AID1430141 |
| Prostaglandin E2 receptor EP4 subtype | Homo sapiens (human) | IC50 (µMol) | 0.0169 | 0.0004 | 0.9585 | 8.0390 | AID1430133; AID1430136; AID626118; AID626120 |
| Prostaglandin E2 receptor EP3 subtype | Homo sapiens (human) | IC50 (µMol) | 20.0000 | 0.0009 | 0.1212 | 0.6350 | AID1430143 |
| Prostaglandin E2 receptor EP2 subtype | Homo sapiens (human) | IC50 (µMol) | 0.8545 | 0.0022 | 0.7205 | 4.1690 | AID1430142; AID626119 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Homo sapiens (human) | Kd | 0.0018 | 0.0018 | 0.0033 | 0.0048 | AID1430133 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| D1 dopamine receptor binding | Prostaglandin E2 receptor EP1 subtype | Homo sapiens (human) |
| prostaglandin E receptor activity | Prostaglandin E2 receptor EP1 subtype | Homo sapiens (human) |
| prostaglandin E receptor activity | Prostaglandin E2 receptor EP4 subtype | Homo sapiens (human) |
| protein binding | Prostaglandin E2 receptor EP4 subtype | Homo sapiens (human) |
| prostaglandin E receptor activity | Prostaglandin E2 receptor EP3 subtype | Homo sapiens (human) |
| prostaglandin E receptor activity | Prostaglandin E2 receptor EP2 subtype | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Prostaglandin E2 receptor EP1 subtype | Homo sapiens (human) |
| plasma membrane | Prostaglandin E2 receptor EP1 subtype | Homo sapiens (human) |
| plasma membrane | Prostaglandin E2 receptor EP4 subtype | Homo sapiens (human) |
| membrane | Prostaglandin E2 receptor EP4 subtype | Homo sapiens (human) |
| plasma membrane | Prostaglandin E2 receptor EP4 subtype | Homo sapiens (human) |
| nuclear envelope | Prostaglandin E2 receptor EP3 subtype | Homo sapiens (human) |
| plasma membrane | Prostaglandin E2 receptor EP3 subtype | Homo sapiens (human) |
| membrane | Prostaglandin E2 receptor EP3 subtype | Homo sapiens (human) |
| plasma membrane | Prostaglandin E2 receptor EP3 subtype | Homo sapiens (human) |
| plasma membrane | Prostaglandin E2 receptor EP2 subtype | Homo sapiens (human) |
| plasma membrane | Prostaglandin E2 receptor EP2 subtype | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID626120 | Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by bead-based proximity assay | 2011 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 21, Issue:21 | Synthesis, pharmacophore modeling and in vitro activity of 10,11-dihydrodibenzo[b,f]oxepine-4-carboxamide derivatives as novel and potent antagonists of the prostaglandin EP4 receptor. |
| AID1430133 | Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay | 2017 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 27, Issue:5 | Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. |
| AID1430141 | Antagonist activity at human EP1 receptor | 2017 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 27, Issue:5 | Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. |
| AID1430144 | Analgesic activity in po dosed rat assessed as inhibition of carrageenan-induced mechanical hyperalgesia measured at 1 hr post dose | 2017 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 27, Issue:5 | Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. |
| AID1430143 | Antagonist activity at human EP3 receptor | 2017 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 27, Issue:5 | Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. |
| AID1430136 | Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes | 2017 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 27, Issue:5 | Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. |
| AID626118 | Displacement of [3H]-PGE2 from human EP4 receptor expressed in HEK293 cells | 2011 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 21, Issue:21 | Synthesis, pharmacophore modeling and in vitro activity of 10,11-dihydrodibenzo[b,f]oxepine-4-carboxamide derivatives as novel and potent antagonists of the prostaglandin EP4 receptor. |
| AID626119 | Displacement of [3H]-PGE2 from human EP2 receptor expressed in HEK293 cells | 2011 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 21, Issue:21 | Synthesis, pharmacophore modeling and in vitro activity of 10,11-dihydrodibenzo[b,f]oxepine-4-carboxamide derivatives as novel and potent antagonists of the prostaglandin EP4 receptor. |
| AID1430139 | Apparent permeability from apical to basolateral side in human Caco2 cells | 2017 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 27, Issue:5 | Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. |
| AID484058 | Antiinflammatory activity in rat assessed as inhibition of complete Freund's adjuvant-induced paw swelling administered daily once 9 days after adjuvant challenge measured on day 18 | 2010 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12 | Discovery of 4-[1-[([1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl]carbonyl)amino]cyclopropyl]benzoic acid (MF-766), a highly potent and selective EP4 antagonist for treating inflammatory pain. |
| AID1430134 | Half life in human liver microsomes | 2017 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 27, Issue:5 | Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. |
| AID1430142 | Antagonist activity at human EP2 receptor | 2017 | Bioorganic & medicinal chemistry letters, 03-01, Volume: 27, Issue:5 | Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. |
| AID459024 | Analgesic activity against complete Freund's adjuvant-induced Sprague-Dawley rat inflammatory pain assessed as inhibition of chronic paw swelling | 2010 | Journal of medicinal chemistry, Mar-11, Volume: 53, Issue:5 | The discovery of 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid (MK-2894), a potent and selective prostaglandin E2 subtype 4 receptor antagonist. |
| AID1346427 | Human EP4 receptor (Prostanoid receptors) | 2008 | European journal of pharmacology, Feb-02, Volume: 580, Issue:1-2 | Effect of prostanoid EP4 receptor antagonist, CJ-042,794, in rat models of pain and inflammation. |
| [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 | 1 (20.00) | 29.6817 |
| 2010's | 4 (80.00) | 24.3611 |
| 2020's | 0 (0.00) | 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 weak demand-to-supply ratio for research on this compound.
| This Compound (12.63) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||