Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H13ClF3N3O |
Molecular Weight | 391.774 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NC(C#CC2=CC=NC(Cl)=C2)=C(C)N1C3=CC=C(OC(F)(F)F)C=C3
InChI
InChIKey=GOHCTCOGYKAJLZ-UHFFFAOYSA-N
InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3
Molecular Formula | C19H13ClF3N3O |
Molecular Weight | 391.774 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/27296643Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/21849627 | https://www.ncbi.nlm.nih.gov/pubmed/22500629
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27296643
Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/21849627 | https://www.ncbi.nlm.nih.gov/pubmed/22500629
CTEP is a compound chemically derived from basimglurant and optimized for utility in rodent studies. CTEP is the first reported mGlu5 inhibitor with both, very long half-life and high oral bioavailability in rodents, classifying as useful pharmacological tool for long-term treatment. CTEP is significantly active in treatment of anxiety in rat and mouse. Chronic treatment with CTEP in a mouse model of Fragile X rescued learning and memory deficits, elevated locomotor activity and increased spine density, suggesting that this treatment may be effective in correcting multiple neurological symptoms. CTEP was able to improve various behavioral alterations induced by chronic social defeat stress.
CNS Activity
Originator
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21849627
Curator's Comment: # F. Hoffmann-La Roche Ltd.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3227 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21849627 |
1.7 nM [Kd] | ||
Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21849627 |
1.5 nM [Kd] | ||
Target ID: CHEMBL256 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21849627 |
1.07 nM [Kd] |
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 |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21849627
Mice: 0.1 and 0.3 mg/kg
Rats: 0.3 and 1.0 mg/kg
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21849627
In HEK293 cells stably expressing human mGlu5, CTEP inhibits quisqualate-induced Ca2 mobilization with an IC50 of 11.4 nM and [3H]IP accumulation
with an IC50 of 6.4 nM.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:21:10 GMT 2023
by
admin
on
Sat Dec 16 15:21:10 GMT 2023
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Record UNII |
E3BWG5775S
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Record Status |
Validated (UNII)
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Record Version |
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-
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CTEP
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DTXSID50469986
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E3BWG5775S
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871362-31-1
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11646823
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