CHEBI:140524 - GSK1016790A

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ChEBI Name GSK1016790A ChEBI ID CHEBI:140524 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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 InChIKey IVYQPSHHYIAUFO-VXKWHMMOSA-N 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) IUPAC Name N-[(2S)-1-(4-{N-[(2,4-dichlorophenyl)sulfonyl]-L-seryl}piperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide 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 View more database links Registry Number Type Source 12914325 Reaxys Registry Number Reaxys Citations Types Sources 18499743 PubMed citation Europe PMC 21339821 PubMed citation Europe PMC 22689561 PubMed citation Europe PMC 24186096 PubMed citation Europe PMC 25150065 PubMed citation Europe PMC 26991376 PubMed citation Europe PMC 27616980 PubMed citation Europe PMC 27799895 PubMed citation Europe PMC 28359774 PubMed citation Europe PMC 28663724 PubMed citation Europe PMC 28794166 PubMed citation Europe PMC 29293584 PubMed citation Europe PMC 29439248 PubMed citation Europe PMC 29569183 PubMed citation Europe PMC Last Modified 05 April 2018