469

2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide


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Chemical Component Summary

Name2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
Identifiers2-[6-chloro-5-[(2R,4R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]carbonyl-1-methyl-indol-3-yl]-N,N-dimethyl-2-oxo-ethanamide
FormulaC27 H30 Cl F N4 O3
Molecular Weight513.004
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F
InChIInChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1
InChIKeyZMELOYOKMZBMRB-DLBZAZTESA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count2
Bond Count69
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB05412 
NameTalmapimod
Groups investigational
DescriptionTalmapimod is the first-generation oral p38 MAP kinase inhibitor developed by Scios. It has shown to be effective to cure inflammatory diseases such as Rheumatoid Arthritis.
SynonymsTalmapimod
IndicationInvestigated for use/treatment in pain (acute or chronic) and rheumatoid arthritis.
CategoriesHeterocyclic Compounds, Fused-Ring
CAS number309913-83-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Mitogen-activated protein kinase 14MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...unknown
Tumor necrosis factorMSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCL...unknown
Interleukin-1 betaMAEVPELASEMMAYYSGNEDDLFFEADGPKQMKCSFQDLDLCPLDGGIQL...unknown
Cytochrome c oxidase subunit 2MAHAAQVGLQDATSPIMEELITFHDHALMIIFLICFLVLYALFLTLTTKL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL514201
PubChem 9871074
ChEMBL CHEMBL514201
ChEBI CHEBI:90683