HFS

1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE

Created:	2005-10-26
Last modified:	2020-06-05

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2 entries where HFS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	11

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Chemical Component Summary
Name	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE
Synonyms	HYDROXYFASUDIL
Systematic Name (OpenEye OEToolkits)	5-[[(1S)-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-ol
Formula	C₁₄ H₁₇ N₃ O₃ S
Molecular Weight	307.368
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3
SMILES	CACTVS	3.341	Oc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(ccnc2O)c(c1)S(=O)(=O)N3CCCNCC3
Canonical SMILES	CACTVS	3.341	Oc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3
InChI	InChI	1.03	InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
InChIKey	InChI	1.03	ZAVGJDAFCZAWSZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04707
Name	Hydroxyfasudil
Groups	experimental
Synonyms	Hydroxyfasudil Hydroxy-fasudil
Categories	Heterocyclic Compounds, Fused-Ring Isoquinolines Piperazines Sulfonamides Sulfones Sulfur Compounds
CAS number	105628-72-6

Drug Targets

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

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