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
SMILES
CC(C)N1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN4CCN(CC4)C(C)=O)C5=C1C=CC=C5
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-
| 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
Edited
Tue Apr 01 16:28:37 GMT 2025
by
admin
on
Tue Apr 01 16:28:37 GMT 2025
|
| Record UNII |
0ZN0AQ6SBV
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
863248-59-3
Created by
admin on Tue Apr 01 16:28:37 GMT 2025 , Edited by admin on Tue Apr 01 16:28:37 GMT 2025
|
PRIMARY | |||
|
TD-2749
Created by
admin on Tue Apr 01 16:28:37 GMT 2025 , Edited by admin on Tue Apr 01 16:28:37 GMT 2025
|
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. | ||
|
0ZN0AQ6SBV
Created by
admin on Tue Apr 01 16:28:37 GMT 2025 , Edited by admin on Tue Apr 01 16:28:37 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
OFF TARGET->NON-INHIBITOR |
9% inhibition at 3 MICROMOLAR
IC50
|
||
|
TARGET -> AGONIST |
BINDING
Ki
|
||
|
TARGET -> AGONIST |
Maximum compound-evoked response 83% expressed as a percentage of the maximum response evoked by 5-HT.
EC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
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
|
