TD-2749

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H38N6O2
Molecular Weight	466.6189
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)N1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN4CCN(CC4)C(C)=O)C5=CC=CC=C15

InChI

InChIKey=ZQMXTDPQEHZTBG-KOUNCHBCSA-N

InChI=1S/C26H38N6O2/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-20-16-21-8-9-22(17-20)31(21)15-12-29-10-13-30(14-11-29)19(3)33/h4-7,18,20-22H,8-17H2,1-3H3,(H,27,34)/t20-,21+,22-

HIDE SMILES / InChI

Molecular Formula	C26H38N6O2
Molecular Weight	466.6189
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:29:48 GMT 2023` Edited by `admin` on `Sat Dec 16 11:29:48 GMT 2023`
Record UNII	0ZN0AQ6SBV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TD-2749

Common Name

English

1H-INDAZOLE-3-CARBOXAMIDE, N-((3-ENDO)-8-(2-(4-ACETYL-1-PIPERAZINYL)ETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)-1-(1-METHYLETHYL)-

Systematic Name

English

N-((1S,5R)-8-(2-(4-ACETYLPIPERAZIN-1-YL)ETHYL)-8-AZABICYCLO(3.2.1)OCTAN-3-YL)-1-ISOPROPYL-INDAZOLE-3-CARBOXAMIDE

Systematic Name

English

1-ISOPROPYL-1H-INDAZOLE-3-CARBOXYLIC ACID N-(3-ENDO-8-(2-(4-ACETYLPIPERAZIN-1-YL)ETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)AMIDE

Systematic Name

English

Code System Code Type Description

CAS

863248-59-3

Created by admin on Sat Dec 16 11:29:48 GMT 2023 , Edited by admin on Sat Dec 16 11:29:48 GMT 2023

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DRUG BANK

TD-2749

Created by admin on Sat Dec 16 11:29:48 GMT 2023 , Edited by admin on Sat Dec 16 11:29:48 GMT 2023

PRIMARY

Name: TD-2749; Accession Number: DB05905; Type: Small Molecule; Group: Investigational; Description: TD-2749 is selective 5-HT4 agonists discovered by Theravance through the application of multivalent drug design in a drug discovery program dedicated to finding new medicines for GI motility disorders such as chronic constipation, constipation-predominant irritable bowel syndrome (C-IBS), opioid-induced constipation, functional dyspepsia and diabetic gastroparesis.

FDA UNII

0ZN0AQ6SBV

Created by admin on Sat Dec 16 11:29:48 GMT 2023 , Edited by admin on Sat Dec 16 11:29:48 GMT 2023

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TD-2749

ACTIVE MOIETY

Comments:

Class: Gastrokinetic, Irritable bowel syndrome therapy; Mechanism of Action: Serotonin 4 receptor agonist; Highest Development Phase: Discontinued for Gastrointestinal disorders; Most Recent Events: 14 Sep 2007 Discontinued - Phase-I for Gastrointestinal disorders in USA (PO), 06 Sep 2007 GlaxoSmithKline decides not to exercise its option to license TD 2749, 20 Mar 2006 Theravance has completed a phase I trial in Gastrointestinal disorders in USA