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Details

Stereochemistry ACHIRAL
Molecular Formula C26H25N3O2.ClH
Molecular Weight 447.957
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JTC-801

SMILES

Cl.CCC1=CC=C(OCC2=CC=CC=C2C(=O)NC3=CC=C4N=C(C)C=C(N)C4=C3)C=C1

InChI

InChIKey=NQLIYKXNAXKMBL-UHFFFAOYSA-N
InChI=1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H

HIDE SMILES / InChI
JTC 801 was developed by Japan Tobacco as a novel opioid receptor-like1 (ORL(1)) receptor antagonist. It was found, that JTC-801 completely antagonized the suppression of nociceptin on the forskolin-induced accumulation of cyclic AMP using ORL(1) receptor expressing HeLa cells in vitro. JTC 801 produced analgesic effects and was studied in phase II of a clinical trial for the treatment of neuropathic, cancer and postoperative pain. Nevertheless, that studies were discontinued.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P41146
Gene ID: 4987.0
Gene Symbol: OPRL1
Target Organism: Homo sapiens (Human)
44.5 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG



OverviewOther

Other InhibitorOther SubstrateOther Inducer


Drug as perpetrator​
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
4-Aminoquinolines: novel nociceptin antagonists with analgesic activity.
2000 Nov 30

Sample Use Guides

Unknown
Route of Administration: Other
In Vitro Use Guide
Curator's Comment: JTC-801 does not inhibit forskolin-stimulated cyclic AMP accumulation in human ORL1 receptor-expressing HeLa cells, but it prevents nociceptin-induced inhibition of cyclic AMP accumulation, indicating that JTC-801 possesses full antagonistic activity.
Unknown
Name Type Language
JTC-801
Common Name English
BENZAMIDE, N-(4-AMINO-2-METHYL-6-QUINOLINYL)-2-((4-ETHYLPHENOXY)METHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
BENZAMIDE, N-(4-AMINO-2-METHYL-6-QUINOLINYL)-2-((4-ETHYLPHENOXY)METHYL)-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10415525
Created by admin on Sat Dec 16 08:42:12 GMT 2023 , Edited by admin on Sat Dec 16 08:42:12 GMT 2023
PRIMARY
PUBCHEM
5311339
Created by admin on Sat Dec 16 08:42:12 GMT 2023 , Edited by admin on Sat Dec 16 08:42:12 GMT 2023
PRIMARY
CAS
244218-51-7
Created by admin on Sat Dec 16 08:42:12 GMT 2023 , Edited by admin on Sat Dec 16 08:42:12 GMT 2023
PRIMARY
WIKIPEDIA
JTC-801
Created by admin on Sat Dec 16 08:42:12 GMT 2023 , Edited by admin on Sat Dec 16 08:42:12 GMT 2023
PRIMARY
FDA UNII
7I21WLZ2FP
Created by admin on Sat Dec 16 08:42:12 GMT 2023 , Edited by admin on Sat Dec 16 08:42:12 GMT 2023
PRIMARY