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CHEBI:166820 - EG00229

ChEBI IDCHEBI:166820
ChEBI NameEG00229
Stars
DefinitionA member of the class of thiophenes that is thiophene substituted by a carbonyl-L-arginine and (2,1,3-benzothiadiazole-4-sulfonyl)amino groups at positions 2 and 3. It is an inhibitor of the neuropilin-1 and VEGF-A interaction and a potential anti-cancer agent.
Last Modified26 November 2020
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC17H19N7O5S3
Net Charge0
Average Mass497.584
Monoisotopic Mass497.06098
SMILESN=C(N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O
InChIInChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
InChIKeyZWWMEDURALZMEV-NSHDSACASA-N
Roles Classification
Biological Role:
neuropilin receptor antagonist  An antagonist that binds to and deactivates neuropilin receptors.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
EG00229 (CHEBI:166820) has role angiogenesis inhibitor (CHEBI:48422)
EG00229 (CHEBI:166820) has role antineoplastic agent (CHEBI:35610)
EG00229 (CHEBI:166820) has role neuropilin receptor antagonist (CHEBI:166909)
EG00229 (CHEBI:166820) is a L-arginine derivative (CHEBI:83965)
EG00229 (CHEBI:166820) is a benzothiadiazole (CHEBI:48864)
EG00229 (CHEBI:166820) is a dicarboxylic acid monoamide (CHEBI:35735)
EG00229 (CHEBI:166820) is a secondary carboxamide (CHEBI:140325)
EG00229 (CHEBI:166820) is a sulfonamide (CHEBI:35358)
EG00229 (CHEBI:166820) is a thiophenes (CHEBI:26961)
IUPAC Name 
N2-({3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]thiophen-2-yl}carbonyl)-L-arginine
Synonyms  Source
N2-[[3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl]carbonyl]-L-arginineChEBI
EG 00229ChEBI
EG-00229ChEBI
Manual XrefsDatabases
8DRPDBeChem
Registry NumbersSources
CAS:1018927-63-3ChEBI
Citations