Y27

(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE

Created:	2003-08-25
Last modified:	2011-06-04

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5 entries where Y27 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	6

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Chemical Component Summary
Name	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	4-[(1R)-1-aminoethyl]-N-pyridin-4-yl-cyclohexane-1-carboxamide
Formula	C₁₄ H₂₁ N₃ O
Molecular Weight	247.336
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1ccncc1)C2CCC(C(N)C)CC2
SMILES	CACTVS	3.341	C[CH](N)[CH]1CC[CH](CC1)C(=O)Nc2ccncc2
SMILES	OpenEye OEToolkits	1.5.0	CC(C1CCC(CC1)C(=O)Nc2ccncc2)N
Canonical SMILES	CACTVS	3.341	C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N
InChI	InChI	1.03	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	InChI	1.03	IYOZTVGMEWJPKR-IJLUTSLNSA-N

Drug Info: DrugBank

DrugBank ID	DB08756
Name	Y-27632
Groups	experimental
Description	Y-27632 is an inhibitor of Rho-associated protein kinase. It inhibits calcium sensitization to affect smooth muscle relaxation.
Synonyms	(R)-(+)-trans-N-(4-pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamide 4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide Y-27632
Categories	Antihypertensive Agents Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Enzyme Inhibitors Muscle Relaxants Muscle Relaxants, Centrally Acting Agents Neuromuscular Agents Peripheral Nervous System Agents
CAS number	146986-50-7

Drug Targets

Name	Target Sequence	Pharmacological Action
cAMP-dependent protein kinase catalytic subunit alpha	MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTL...	unknown
cAMP-dependent protein kinase inhibitor alpha	MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELALKLAGLDINKT...	unknown
Rho-associated protein kinase 1	MSTGDSFETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNK...	unknown
Rho-associated protein kinase 2	MSRPPPTGKMPGAPETAPGDGAGASRQRKLEALIRDPRSPINVESLLDGL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682