Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C28H25F3N4O4 |
Molecular Weight | 538.5177 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(=CC=C1)C2=CC=C(C=C2)[C@@H](OC3=CC(=NC(N)=N3)C4=CC=C(C[C@H](N)C(O)=O)C=C4)C(F)(F)F
InChI
InChIKey=XNMUICFMGGQSMZ-WIOPSUGQSA-N
InChI=1S/C28H25F3N4O4/c1-38-21-4-2-3-20(14-21)17-9-11-19(12-10-17)25(28(29,30)31)39-24-15-23(34-27(33)35-24)18-7-5-16(6-8-18)13-22(32)26(36)37/h2-12,14-15,22,25H,13,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25+/m0/s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/21154152Curator's Comment: Description was created based on several sources, including
http://www.lexpharma.com/media-center/news/151-lexicon-initiates-phase-2-clinical-trial-of-lx1031-in-patients-with-irritable-bowel-syndrome-
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21154152
Curator's Comment: Description was created based on several sources, including
http://www.lexpharma.com/media-center/news/151-lexicon-initiates-phase-2-clinical-trial-of-lx1031-in-patients-with-irritable-bowel-syndrome-
LX-1031, being developed by Lexicon Pharmaceuticals, is an oral, small-molecule tryptophan 5-hydroxylase (TPH) inhibitor that reduces 5-HT synthesis peripherally. LX-1031 is being developed for the potential treatment of diarrhea-predominant irritable bowel syndrome (IBS-D), which is characterized by excess 5-HT. In preclinical studies, LX-1031 dose-dependently reduced expression of 5-HT in the duodenum, jejunum and ileum, but had no effect on brain 5-HT levels. It was in Phase 2 clinical trial, but later development of LX-1031 was discontinued.
CNS Activity
Originator
Approval Year
Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
384 ng/mL |
1000 mg single, oral dose: 1000 mg route of administration: Oral experiment type: SINGLE co-administered: |
LX-1031 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: UNKNOWN food status: FED |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
20 h |
1000 mg single, oral dose: 1000 mg route of administration: Oral experiment type: SINGLE co-administered: |
LX-1031 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: UNKNOWN food status: FED |
Sample Use Guides
a 250 mg dose and a 1,000 mg dose, each administered four times daily.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21159063
In vitro, inhibition of TPH1 occurred in 10(-8) -10(-7) M/L range.
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DB05199
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945976-76-1
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DTXSID70241544
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SUBSTANCE RECORD