Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C24H21Cl2NO5 |
| Molecular Weight | 474.333 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=CC(OC)=C1C2=CC=C(C[C@H](NC(=O)C3=C(Cl)C=CC=C3Cl)C(O)=O)C=C2
InChI
InChIKey=DRSJLVGDSNWQBI-SFHVURJKSA-N
InChI=1S/C24H21Cl2NO5/c1-31-19-7-4-8-20(32-2)21(19)15-11-9-14(10-12-15)13-18(24(29)30)27-23(28)22-16(25)5-3-6-17(22)26/h3-12,18H,13H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1
DescriptionCurator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/11937364
Curator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/11937364
TR14035 (SB 683698) is a dual integrin alpha-4/beta-1 and alpha-4/beta-7 antagonist. Integrin alpha-4/beta-1 and alpha-4/beta-7 are key regulators of physiologic and pathologic responses in inflammation and autoimmune disease. It was originated by Tanabe Seiyaku and was being developed by Tanabe Research Laboratories and GlaxoSmithKline in Japan, the USA and Europe. TR 4035 was being developed in phase II clinical studies for the treatment of asthma and rheumatoid arthritis. It may also have had potential in a number of other inflammatory diseases, including inflammatory bowel disease and multiple sclerosis, for which it was at the phase I stage of clinical investigation. However, development has now been discontinued.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL1907599 |
87.0 nM [IC50] | ||
Target ID: CHEMBL2095184 |
7.0 nM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Characterization of hepatobiliary transport systems of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035. | 2006-11 |
|
| A small molecule, orally active, alpha4beta1/alpha4beta7 dual antagonist reduces leukocyte infiltration and airway hyper-responsiveness in an experimental model of allergic asthma in Brown Norway rats. | 2006-03 |
|
| Pharmacokinetics and metabolism of TR-14035, a novel antagonist of a4ss1/a4ss7 integrin mediated cell adhesion, in rat and dog. | 2005-04 |
|
| Role of human liver cytochrome P450 2C9 in the metabolism of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035. | 2005-04 |
|
| Alpha(4)beta(7)/alpha(4)beta(1) dual integrin antagonists block alpha(4)beta(7)-dependent adhesion under shear flow. | 2002-07 |
|
| Synthesis and SAR of N-benzoyl-L-biphenylalanine derivatives: discovery of TR-14035, a dual alpha(4)beta(7)/alpha(4)beta(1) integrin antagonist. | 2002-06 |
Patents
| Name | Type | Language | ||
|---|---|---|---|---|
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Preferred Name | English | ||
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Code | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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232271-19-1
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UW585PBD7S
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9912743
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DTXSID001026007
Created by
admin on Mon Mar 31 23:44:53 GMT 2025 , Edited by admin on Mon Mar 31 23:44:53 GMT 2025
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ACTIVE MOIETY
