CHEBI:140524 - GSK1016790A

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ChEBI Name GSK1016790A
Definition A tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter TheOtherDave
Supplier Information
Download Molfile XML SDF
Formula C28H32Cl2N4O6S2
Net Charge 0
Average Mass 655.616
Monoisotopic Mass 654.11403
InChI InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1
SMILES C=1C2=C(C=CC1)SC(=C2)C(=O)N[C@@H](CC(C)C)C(=O)N3CCN(CC3)C(=O)[C@H](CO)NS(C=4C=CC(=CC4Cl)Cl)(=O)=O
Roles Classification
Biological Role(s): TRPV4 agonist
An agonist at the transient receptor potential vanilloid 4 (TRPV4).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing GSK1016790A (CHEBI:140524) has role TRPV4 agonist (CHEBI:140061)
GSK1016790A (CHEBI:140524) is a 1-benzothiophenes (CHEBI:38836)
GSK1016790A (CHEBI:140524) is a N-acylpiperazine (CHEBI:46844)
GSK1016790A (CHEBI:140524) is a aromatic primary alcohol (CHEBI:33857)
GSK1016790A (CHEBI:140524) is a dichlorobenzene (CHEBI:23697)
GSK1016790A (CHEBI:140524) is a sulfonamide (CHEBI:35358)
GSK1016790A (CHEBI:140524) is a tertiary carboxamide (CHEBI:140326)
Synonyms Sources
GSK 1016790A ChEBI
GSK-1016790A ChEBI
N-[(2S)-1-{4-[(2S)-2-{[(2,4-dichlorophenyl)sulfonyl]amino}-3-hydroxypropanoyl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC
Manual Xref Database
329799716 Pubchem accession
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Registry Number Type Source
12914325 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18499743 PubMed citation Europe PMC
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Last Modified
05 April 2018