CHEBI:75393 - Y-27632

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ChEBI Name Y-27632
ChEBI ID CHEBI:75393
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H21N3O
Net Charge 0
Average Mass 247.33600
Monoisotopic Mass 247.168
InChI InChI=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
InChIKey IYOZTVGMEWJPKR-IJLUTSLNSA-N
SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
(R)-(+)-trans-N-(4-pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamide ChEBI
4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide IUPHAR
Y 27632 ChEBI
Manual Xrefs Databases
DB08756 DrugBank
Y-27632 Wikipedia
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Registry Numbers Types Sources
146986-50-7 CAS Registry Number ChemIDplus
9134889 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10686302 PubMed citation Europe PMC
10973620 PubMed citation Europe PMC
17105828 PubMed citation Europe PMC
17157292 PubMed citation Europe PMC
17428993 PubMed citation Europe PMC
Last Modified
07 October 2013