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CHEBI:75393 - Y-27632

ChEBI IDCHEBI:75393
ChEBI NameY-27632
Stars
DefinitionA monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.
Last Modified7 October 2013
Submitternamrata
DownloadsMolfile
FormulaC14H21N3O
Net Charge0
Average Mass247.342
Monoisotopic Mass247.16846
SMILES[H][C@]1([C@@H](C)N)CC[C@H](C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
InChIKeyIYOZTVGMEWJPKR-IJLUTSLNSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
ChEBI Ontology
Outgoing Relation(s)
Y-27632 (CHEBI:75393) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
Y-27632 (CHEBI:75393) is a monocarboxylic acid amide (CHEBI:29347)
Y-27632 (CHEBI:75393) is a primary amino compound (CHEBI:50994)
Y-27632 (CHEBI:75393) is a pyridines (CHEBI:26421)
IUPAC Name 
trans-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexanecarboxamide
Synonyms  Source
4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamideIUPHAR
(R)-(+)-trans-N-(4-pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamideChEBI
Y 27632ChEBI
Manual XrefsDatabases
DB08756DrugBank
Y-27632Wikipedia
Registry NumbersSources
Reaxys:9134889Reaxys
CAS:146986-50-7ChemIDplus
Citations