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CHEBI:166820 - EG00229

Default Structure
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:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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
EG 00229ChEBI
EG-00229ChEBI
N2-[[3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl]carbonyl]-L-arginineChEBI
Manual XrefsDatabases
8DRPDBeChem
Registry NumbersSources
CAS:1018927-63-3ChEBI
Citations