fasudil (CHEBI:43871)

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ChEBI Name	fasudil

ChEBI ID	CHEBI:43871

Definition	An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C14H17N3O2S

Net Charge

Average Mass

291.370

Monoisotopic Mass

291.10415

InChI

InChI=1S/C14H17N3O2S/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

InChIKey

NGOGFTYYXHNFQH-UHFFFAOYSA-N

SMILES

O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2

Roles Classification
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. 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.

Application(s):	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. vasodilator agent A drug used to cause dilation of the blood vessels. 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. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

ChEBI Ontology
Outgoing	fasudil (CHEBI:43871) has role antihypertensive agent (CHEBI:35674) fasudil (CHEBI:43871) has role calcium channel blocker (CHEBI:38215) fasudil (CHEBI:43871) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925) fasudil (CHEBI:43871) has role geroprotector (CHEBI:176497) fasudil (CHEBI:43871) has role neuroprotective agent (CHEBI:63726) fasudil (CHEBI:43871) has role nootropic agent (CHEBI:66980) fasudil (CHEBI:43871) has role vasodilator agent (CHEBI:35620) fasudil (CHEBI:43871) is a N-sulfonyldiazepane (CHEBI:46946) fasudil (CHEBI:43871) is a isoquinolines (CHEBI:24922) fasudil (CHEBI:43871) is conjugate base of fasudil(1+) (CHEBI:180694)

Incoming	fasudil(1+) (CHEBI:180694) is conjugate acid of fasudil (CHEBI:43871)

IUPAC Name

5-(1,4-diazepan-1-ylsulfonyl)isoquinoline

Synonyms	Sources
1-(5-isoquinolinesulfonyl)homopiperazine	ChemIDplus
5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]isoquinoline	ChEBI
AT 877	ChemIDplus
AT-877	ChemIDplus
HA 1077	ChemIDplus
HA-1077	DrugCentral
HA1077	ChemIDplus
hexahydro-1-(5-isoquinolinesulfonyl)-1H-1,4-diazepine	ChEBI
hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine	ChemIDplus
ZK-258594	DrugBank

Registry Number	Type	Source
103745-39-7	CAS Registry Number	ChemIDplus

Last Modified

08 October 2021