CHEBI:166820 - EG00229

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ChEBI Name EG00229
ChEBI ID CHEBI:166820
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C17H19N7O5S3
Net Charge 0
Average Mass 497.560
Monoisotopic Mass 497.06098
InChI InChI=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
InChIKey ZWWMEDURALZMEV-NSHDSACASA-N
SMILES NC(=N)NCCC[C@H](NC(=O)C1=C(NS(=O)(=O)C2=CC=CC3=NSN=C23)C=CS1)C(O)=O
Roles Classification
Biological Role(s): neuropilin receptor antagonist
An antagonist that binds to and deactivates neuropilin receptors.
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
EG 00229 ChEBI
EG-00229 ChEBI
N2-[[3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl]carbonyl]-L-arginine ChEBI
Manual Xref Database
8DR PDBeChem
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Registry Number Type Source
1018927-63-3 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
20151671 PubMed citation Europe PMC
24033337 PubMed citation Europe PMC
26755653 PubMed citation Europe PMC
29648813 PubMed citation Europe PMC
31840081 PubMed citation Europe PMC
31938358 PubMed citation Europe PMC
33009246 PubMed citation Europe PMC
Last Modified
26 November 2020