Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
35F0Y2W16Q
Record Status Validated
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C25H37N5O3
Molecular Weight 455.593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 01:58:15 EDT 2021
Edited by admin on Wed Aug 04 01:58:15 EDT 2021
Structure of FELCISETRAG

Systematic Names:

  • None recorded

SMILES

COC(=O)N1CCC(CN2CCC(CNC(=O)C3=C4NC(=NC4=CC=C3)C(C)C)CC2)CC1

InChI

MZOITCJKGUIQEI-UHFFFAOYSA-N
InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)
Name Type Language Details Access References
FELCISETRAG
Domain Jurisdiction Naming Organization
drug  
USAN   INN  
Official Name
English  
THRX-149699
Code
English  
TD-8954
Code
English  
TAK-954
Code
English  
METHYL 4-((4-((2-(PROPAN-2-YL)-1H-BENZIMIDAZOLE-4- CARBOXAMIDO)METHYL)PIPERIDIN-1-YL)METHYL)PIPERIDINE-1-CARBOXYLATE
Systematic Name
English  
FELCISETRAG [USAN]
Common Name
English  
FELCISETRAG [INN]
Common Name
English  
1-PIPERIDINECARBOXYLIC ACID, 4-((4-((((2-(1-METHYLETHYL)-1H-BENZIMIDAZOL-7-YL)CARBONYL)AMINO)METHYL)-1-PIPERIDINYL)METHYL)-, METHYL ESTER
Systematic Name
English  
Code System Code Type Description Access References
CAS
916075-84-8
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
PRIMARY
DRUG BANK
DB12725
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
PRIMARY
FDA UNII
35F0Y2W16Q
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
PRIMARY
INN
11124
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
PRIMARY
NCI_THESAURUS
C171900
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
PRIMARY
PUBCHEM
11961293
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
PRIMARY
Related Record Type Details Access References
TARGET -> AGONIST
Mediator Substance Details
none
BINDING
Comments Maximum compound-evoked response 83% expressed as a percentage of the maximum response evoked by 5-HT.
EC50
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
TARGET -> AGONIST
Mediator Substance Details
none
BINDING
Ki
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:58:15 EDT 2021 , Edited by admin on Wed Aug 04 01:58:15 EDT 2021
Name Property Type Amount Referenced Substance Defining Parameters Access References
PERMEABILITY PHARMACOKINETIC
0
Created Wed Aug 04 01:58:15 EDT 2021
Created By admin
Last Edited Wed Aug 04 01:58:15 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 01:58:12 EDT 2021
2 USAN COUN 2021 USANCOUN PUBLIC_DOMAIN_RELEASE
3 SYSTEM
4 McKinnell, R. Murray, et al. "Discovery of TD-8954, a clinical stage 5-HT4 receptor agonist with gastrointestinal prokinetic properties." Bioorganic & medicinal chemistry letters 23.14 (2013): 4210-4215. JA PUBLIC_DOMAIN_RELEASE
5 Bioorganic & Medicinal Chemistry Letters (2013), 23(14), 4210-4215 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
6 STN STN (SCIFINDER) PUBLIC_DOMAIN_RELEASE
7 NCIT NCI THESAURUS
8 Front. Pharmacol., 30 May 2011 | doi: 10.3389/fphar.2011.00025 SRS NOMEN
9 http://bciq.biocentury.com/products/td-8954 WEB PAGE
10 SRS import [35F0Y2W16Q] SRS NOMEN Fri Apr 28 15:18:13 EDT 2017
11 FDA SRS NOMEN
12 INN Proposed List 121 INN_LIST PUBLIC_DOMAIN_RELEASE
13 SRS CODE IMPORT SRS NOMEN Fri Apr 28 15:18:13 EDT 2017

Molecular Formula C25H37N5O3
Molecular Weight 455.593
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE