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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
Structure of CTEP

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

HIDE SMILES / InChI

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

Description
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.

Originator

Curator's Comment: # F. Hoffmann-La Roche Ltd.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.7 nM [Kd]
1.5 nM [Kd]
1.07 nM [Kd]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

Mice: 0.1 and 0.3 mg/kg Rats: 0.3 and 1.0 mg/kg
Route of Administration: Oral
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 Sat Dec 16 15:21:10 GMT 2023
Edited
by admin
on Sat Dec 16 15:21:10 GMT 2023
Record UNII
E3BWG5775S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CTEP
Common Name English
PYRIDINE, 2-CHLORO-4-(2-(2,5-DIMETHYL-1-(4-(TRIFLUOROMETHOXY)PHENYL)-1H-IMIDAZOL-4-YL)ETHYNYL)-
Systematic Name English
2-CHLORANYL-4-(2-(2,5-DIMETHYL-1-(4-(TRIFLUOROMETHYLOXY)PHENYL)IMIDAZOL-4-YL)ETHYNYL)PYRIDINE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
CTEP
Created by admin on Sat Dec 16 15:21:10 GMT 2023 , Edited by admin on Sat Dec 16 15:21:10 GMT 2023
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EPA CompTox
DTXSID50469986
Created by admin on Sat Dec 16 15:21:10 GMT 2023 , Edited by admin on Sat Dec 16 15:21:10 GMT 2023
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FDA UNII
E3BWG5775S
Created by admin on Sat Dec 16 15:21:10 GMT 2023 , Edited by admin on Sat Dec 16 15:21:10 GMT 2023
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CAS
871362-31-1
Created by admin on Sat Dec 16 15:21:10 GMT 2023 , Edited by admin on Sat Dec 16 15:21:10 GMT 2023
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PUBCHEM
11646823
Created by admin on Sat Dec 16 15:21:10 GMT 2023 , Edited by admin on Sat Dec 16 15:21:10 GMT 2023
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