EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145662 - pibutidine

ChEBI IDCHEBI:145662
ChEBI Namepibutidine
Stars
DefinitionAn aromtic ether that is 4-(piperidin-1-ylmethyl)pyridin-2-ol in which the hydroxy group has been substituted by a {(2Z)-4-[(2-amino-3,4-dioxocyclobut-1-en-1-yl)amino]but-2-en-1-yl}oxy group. It is a H2 receptor antagonist which was developed for the treatment of peptic ulcers and duodenal ulcers.
Last Modified12 December 2019
SubmitterAdnan
DownloadsMolfile
FormulaC19H24N4O3
Net Charge0
Average Mass356.426
Monoisotopic Mass356.18484
SMILESNc1c(NC/C=C\COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O
InChIInChI=1S/C19H24N4O3/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2/b5-2-
InChIKeyXMDYZASWLGWIPL-DJWKRKHSSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
H2-receptor antagonist  H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
Applications:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
H2-receptor antagonist  H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
ChEBI Ontology
Outgoing Relation(s)
pibutidine (CHEBI:145662) has role anti-ulcer drug (CHEBI:49201)
pibutidine (CHEBI:145662) has role H2-receptor antagonist (CHEBI:37961)
pibutidine (CHEBI:145662) is a aromatic ether (CHEBI:35618)
pibutidine (CHEBI:145662) is a cyclobutenones (CHEBI:59718)
pibutidine (CHEBI:145662) is a olefinic compound (CHEBI:78840)
pibutidine (CHEBI:145662) is a piperidines (CHEBI:26151)
pibutidine (CHEBI:145662) is a primary amino compound (CHEBI:50994)
pibutidine (CHEBI:145662) is a pyridines (CHEBI:26421)
pibutidine (CHEBI:145662) is a secondary amino compound (CHEBI:50995)
pibutidine (CHEBI:145662) is conjugate base of pibutidine(1+) (CHEBI:145665)
Incoming Relation(s)
pibutidine(1+) (CHEBI:145665) is conjugate acid of pibutidine (CHEBI:145662)
IUPAC Name 
3-amino-4-{[(2Z)-4-{[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy}but-2-en-1-yl]amino}cyclobut-3-ene-1,2-dione
INNs  Source
pibutidinumWHO MedNet
pibutidinaWHO MedNet
pibutidineWHO MedNet
pibutidineWHO MedNet
Synonym  Source
3-amino-4-[[(Z)-4-[4-(piperidinomethyl)pyridin-2-yloxy]-2-butenyl]amino]-3-cyclobutene-1,2-dioneChEBI
Manual XrefsDatabases
HMDB0041986HMDB
Registry NumbersSources
CAS:103922-33-4ChemIDplus
Citations