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CHEBI:61014 - PD123319

ChEBI IDCHEBI:61014
ChEBI NamePD123319
Stars
DefinitionAn 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
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC31H32N4O3
Net Charge0
Average Mass508.622
Monoisotopic Mass508.24744
SMILESCc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C
InChIInChI=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
InChIKeyYSTVFDAKLDMYCR-NDEPHWFRSA-N
Roles Classification
Biological Roles:
angiotensin receptor antagonist  A hormone antagonist that blocks angiotensin receptors.
endothelin receptor antagonist  A hormone antagonist that blocks endothelin receptors.
Applications:
angiotensin receptor antagonist  A hormone antagonist that blocks angiotensin receptors.
vasoconstrictor agent  Drug used to cause constriction of the blood vessels.
endothelin receptor antagonist  A hormone antagonist that blocks endothelin receptors.
ChEBI Ontology
Outgoing Relation(s)
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  Source
PD-123319ChemIDplus
PD 123319ChemIDplus
Manual XrefsDatabases
C15553KEGG COMPOUND
Registry NumbersSources
Reaxys:4848847Reaxys
CAS:130663-39-7ChemIDplus
CAS:130663-39-7KEGG COMPOUND
Citations