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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

SHOW SMILES / InChI
Structure of FELCISETRAG

SMILES

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

InChI

InChIKey=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)

HIDE SMILES / InChI

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:17:56 UTC 2023
Edited
by admin
on Sat Dec 16 18:17:56 UTC 2023
Record UNII
35F0Y2W16Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FELCISETRAG
USAN   INN  
Official Name English
TAK-954
Code English
1-PIPERIDINECARBOXYLIC ACID, 4-((4-((((2-(1-METHYLETHYL)-1H-BENZIMIDAZOL-7-YL)CARBONYL)AMINO)METHYL)-1-PIPERIDINYL)METHYL)-, METHYL ESTER
Systematic Name English
THRX-149699
Code English
felcisetrag [INN]
Common Name English
METHYL 4-((4-((2-(PROPAN-2-YL)-1H-BENZIMIDAZOLE-4- CARBOXAMIDO)METHYL)PIPERIDIN-1-YL)METHYL)PIPERIDINE-1-CARBOXYLATE
Systematic Name English
TD-8954
Code English
FELCISETRAG [USAN]
Common Name English
Code System Code Type Description
DRUG BANK
DB12725
Created by admin on Sat Dec 16 18:17:57 UTC 2023 , Edited by admin on Sat Dec 16 18:17:57 UTC 2023
PRIMARY
NCI_THESAURUS
C171900
Created by admin on Sat Dec 16 18:17:57 UTC 2023 , Edited by admin on Sat Dec 16 18:17:57 UTC 2023
PRIMARY
CAS
916075-84-8
Created by admin on Sat Dec 16 18:17:57 UTC 2023 , Edited by admin on Sat Dec 16 18:17:57 UTC 2023
PRIMARY
PUBCHEM
11961293
Created by admin on Sat Dec 16 18:17:57 UTC 2023 , Edited by admin on Sat Dec 16 18:17:57 UTC 2023
PRIMARY
USAN
JK-21
Created by admin on Sat Dec 16 18:17:57 UTC 2023 , Edited by admin on Sat Dec 16 18:17:57 UTC 2023
PRIMARY
SMS_ID
300000038048
Created by admin on Sat Dec 16 18:17:57 UTC 2023 , Edited by admin on Sat Dec 16 18:17:57 UTC 2023
PRIMARY
INN
11124
Created by admin on Sat Dec 16 18:17:57 UTC 2023 , Edited by admin on Sat Dec 16 18:17:57 UTC 2023
PRIMARY
FDA UNII
35F0Y2W16Q
Created by admin on Sat Dec 16 18:17:57 UTC 2023 , Edited by admin on Sat Dec 16 18:17:57 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Comments Maximum compound-evoked response 83% expressed as a percentage of the maximum response evoked by 5-HT.
BINDING
EC50
TARGET -> AGONIST
BINDING
Ki
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
PERMEABILITY PHARMACOKINETIC