EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231668 - GS-5759

Default Structure
ChEBI IDCHEBI:231668
ChEBI NameGS-5759
Stars
DefinitionGS-5759, a novel bifunctional phosphodiesterase 4 inhibitor and long-acting beta 2-adrenoceptor agonist in preclinical animal species.
Submitterruixy
DownloadsMolfile
FormulaC47H42N6O8S
Net Charge0
Average Mass850.954
Monoisotopic Mass850.27848
SMILES[H][C@](O)(CNCCCC#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)c3cc(C)c4ncc(C(=N)O)/c(=N/c5cccc(OC)c5)c4c3)c2)cc1)c1ccc(O)c2nc(O)ccc12
InChIInChI=1S/C47H42N6O8S/c1-28-22-35(25-38-43(28)50-26-39(46(48)57)44(38)51-32-10-7-11-33(24-32)61-2)62(59,60)34-12-6-9-30(23-34)47(58)52-31-15-13-29(14-16-31)8-4-3-5-21-49-27-41(55)36-17-19-40(54)45-37(36)18-20-42(56)53-45/h6-7,9-20,22-26,41,49,54-55H,3,5,21,27H2,1-2H3,(H2,48,57)(H,50,51)(H,52,58)(H,53,56)/t41-/m0/s1
InChIKeyHJBZAZITZDSWKD-RWYGWLOXSA-N
ChEBI Ontology
Outgoing Relation(s)
GS-5759 (CHEBI:231668) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
6-[3-[[4-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pent-1-ynyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamideSUBMITTER
9YPZ428KB4SUBMITTER
CHEMBL4565954SUBMITTER
(R)-6-[[3-[[4-[5-[[2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino]pent-1-ynyl]phenyl]carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamideSUBMITTER
Registry NumbersSources
CAS:1346653-91-5SUBMITTER