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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 of TD-2749

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

Approval Year

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
PRIMARY
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
PRIMARY