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CHEBI:31593 - fasudil hydrochloride

Default Structure
ChEBI IDCHEBI:31593
ChEBI Namefasudil hydrochloride
Stars
DefinitionA hydrochloride obtained by reaction of fasudil with one equivalent of hydrochloric acid.
Last Modified8 October 2021
DownloadsMolfile
FormulaC14H17N3O2S.HCl
Net Charge0
Average Mass327.837
Monoisotopic Mass327.08083
SMILESCl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1
InChIInChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H
InChIKeyLFVPBERIVUNMGV-UHFFFAOYSA-N
Roles Classification
Biological Roles:
calcium channel blocker  One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
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.
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
nootropic agent  Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
fasudil hydrochloride (CHEBI:31593) has part fasudil(1+) (CHEBI:180694)
fasudil hydrochloride (CHEBI:31593) has role antihypertensive agent (CHEBI:35674)
fasudil hydrochloride (CHEBI:31593) has role calcium channel blocker (CHEBI:38215)
fasudil hydrochloride (CHEBI:31593) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
fasudil hydrochloride (CHEBI:31593) has role neuroprotective agent (CHEBI:63726)
fasudil hydrochloride (CHEBI:31593) has role nootropic agent (CHEBI:66980)
fasudil hydrochloride (CHEBI:31593) has role vasodilator agent (CHEBI:35620)
fasudil hydrochloride (CHEBI:31593) is a hydrochloride (CHEBI:36807)
Incoming Relation(s)
fasudil hydrochloride hydrate (CHEBI:180695) has part fasudil hydrochloride (CHEBI:31593)
IUPAC Name 
5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
Synonyms  Source
1-(5-isoquinolinesulfonyl)homopiperazine hydrochlorideChEBI
4-(isoquinolin-5-ylsulfonyl)-1,4-diazepan-1-ium chlorideIUPAC
AT 877 hydrochlorideChemIDplus
fasudil HClDrugBank
HA 1077 hydrochlorideChemIDplus
hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine monohydrochlorideChemIDplus
Manual XrefsDatabases
CN101863880Patent
D01840KEGG DRUG
DBSALT002399DrugBank
Registry NumbersSources
CAS:105628-07-7ChemIDplus
Citations