CHEBI:229643 - zavegepant

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ChEBI Name zavegepant ChEBI ID CHEBI:229643 Definition A member of the class of ureas that is urea in which both amino groups are replaced by 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidin-1-yl and {(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl}amino groups. It is a calcitonin gene-related peptide receptor antagonist whose hydrochloride salt has been approved by the FDA for the acute treatment of migraine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C36H46N8O3 Net Charge 0 Average Mass 638.817 Monoisotopic Mass 638.36929 InChI InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1 InChIKey JJVAPHYEOZSKJZ-JGCGQSQUSA-N SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2 Roles Classification Biological Role(s): calcitonin gene-related peptide receptor antagonist An antagonist at any calcitonin gene-related peptide receptor. View more via ChEBI Ontology ChEBI Ontology Outgoing zavegepant (CHEBI:229643) has role calcitonin gene-related peptide receptor antagonist (CHEBI:196956) zavegepant (CHEBI:229643) is a N-acylpiperazine (CHEBI:46844) zavegepant (CHEBI:229643) is a indazoles (CHEBI:38769) zavegepant (CHEBI:229643) is a piperidinecarboxamide (CHEBI:48592) zavegepant (CHEBI:229643) is a piperidines (CHEBI:26151) zavegepant (CHEBI:229643) is a quinolone (CHEBI:23765) zavegepant (CHEBI:229643) is a ureas (CHEBI:47857) zavegepant (CHEBI:229643) is conjugate base of zavegepant(1+) (CHEBI:229645) Incoming zavegepant(1+) (CHEBI:229645) is conjugate acid of zavegepant (CHEBI:229643) IUPAC Name N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl}-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide INNs Sources zavegepant WHO MedNet zavégépant WHO MedNet zavegepant WHO MedNet zavegepantum WHO MedNet Synonyms Sources (R)-N-(3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide ChEBI BHV 3500 ChEBI BHV-3500 DrugBank BHV3500 ChEBI BMS 742413 ChEBI BMS-742413 DrugBank BMS-742413-01 DrugBank Manual Xrefs Databases D11898 KEGG DRUG DB15688 DrugBank US2012059017 Patent Zavegepant Wikipedia View more database links Registry Number Type Source 1337918-83-8 CAS Registry Number DrugBank Citations Types Sources 23632269 PubMed citation Europe PMC 33096162 PubMed citation Europe PMC 35774914 PubMed citation Europe PMC 36189708 PubMed citation Europe PMC 36239038 PubMed citation Europe PMC 36552072 PubMed citation Europe PMC 36804093 PubMed citation Europe PMC 37012363 PubMed citation Europe PMC 37094060 PubMed citation Europe PMC 37227596 PubMed citation Europe PMC 37270693 PubMed citation Europe PMC 37345774 PubMed citation Europe PMC 37363553 PubMed citation Europe PMC 37593294 PubMed citation Europe PMC 37630989 PubMed citation Europe PMC 37723470 PubMed citation Europe PMC 37897226 PubMed citation Europe PMC 37904462 PubMed citation Europe PMC 38311738 PubMed citation Europe PMC 38333255 PubMed citation Europe PMC Last Modified 16 April 2024