CHEBI:61014 - PD123319

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name PD123319 ChEBI ID CHEBI:61014 Definition An imidazopyridine consisting of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine having 4-(dimethylamino)-3-methylbenzyl, diphenylacetyl and carboxy and groups at positions 1, 5 and 6 respectively 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 Formula C31H32N4O3 Net Charge 0 Average Mass 508.61080 Monoisotopic Mass 508.24744 InChI InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1 InChIKey YSTVFDAKLDMYCR-NDEPHWFRSA-N SMILES CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C Roles Classification Biological Role(s): endothelin receptor antagonist A hormone antagonist that blocks endothelin receptors. angiotensin receptor antagonist A hormone antagonist that blocks angiotensin receptors. Application(s): vasoconstrictor agent Drug used to cause constriction of the blood vessels. endothelin receptor antagonist A hormone antagonist that blocks endothelin receptors. angiotensin receptor antagonist A hormone antagonist that blocks angiotensin receptors. View more via ChEBI Ontology ChEBI Ontology Outgoing PD123319 (CHEBI:61014) has role angiotensin receptor antagonist (CHEBI:61016) PD123319 (CHEBI:61014) has role endothelin receptor antagonist (CHEBI:51451) PD123319 (CHEBI:61014) has role vasoconstrictor agent (CHEBI:50514) PD123319 (CHEBI:61014) is a imidazopyridine (CHEBI:46908) IUPAC Name (6S)-1-[4-(dimethylamino)-3-methylbenzyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid Synonyms Sources PD 123319 ChemIDplus PD-123319 ChemIDplus Manual Xref Database C15553 KEGG COMPOUND View more database links Registry Numbers Types Sources 130663-39-7 CAS Registry Number KEGG COMPOUND 130663-39-7 CAS Registry Number ChemIDplus 4848847 Reaxys Registry Number Reaxys Citations Types Sources 10604953 PubMed citation Europe PMC 11429622 PubMed citation Europe PMC 11444501 PubMed citation Europe PMC 11606327 PubMed citation Europe PMC 12021572 PubMed citation Europe PMC 12072577 PubMed citation Europe PMC 15294451 PubMed citation Europe PMC 15703421 PubMed citation Europe PMC 16354763 PubMed citation Europe PMC 1956044 PubMed citation Europe PMC 7698212 PubMed citation Europe PMC 8549630 PubMed citation Europe PMC 8730746 PubMed citation Europe PMC 8874148 PubMed citation Europe PMC 9030909 PubMed citation Europe PMC 9296348 PubMed citation Europe PMC 9514193 PubMed citation Europe PMC 9554815 PubMed citation Europe PMC 9570482 PubMed citation Europe PMC 9720792 PubMed citation Europe PMC Last Modified 28 July 2014