praliciguat (CHEBI:142431)

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CHEBI:142431 - praliciguat

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ChEBI ID	CHEBI:142431
ChEBI Name	praliciguat
Stars
Definition	A member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejection fraction.
Last Modified	25 October 2018
Submitter	Bijay
Downloads	Molfile

Formula	C21H14F8N6O2
Net Charge	0
Average Mass	534.367
Monoisotopic Mass	534.10505
SMILES	OC(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)(C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32)
InChIKey	CYSJNTQNMDWAJV-UHFFFAOYSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	soluble guanylate cyclase activator Any compound that binds to and activates soluble guanylate cyclase (EC 4.6.1.2).
Applications:	anti-inflammatory agent Any compound that has anti-inflammatory effects. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. vasodilator agent A drug used to cause dilation of the blood vessels.

ChEBI Ontology

Outgoing Relation(s)
	praliciguat (CHEBI:142431) has role anti-inflammatory agent (CHEBI:67079)
	praliciguat (CHEBI:142431) has role antihypertensive agent (CHEBI:35674)
	praliciguat (CHEBI:142431) has role soluble guanylate cyclase activator (CHEBI:76022)
	praliciguat (CHEBI:142431) has role vasodilator agent (CHEBI:35620)
	praliciguat (CHEBI:142431) is a aminopyrimidine (CHEBI:38338)
	praliciguat (CHEBI:142431) is a isoxazoles (CHEBI:55373)
	praliciguat (CHEBI:142431) is a monofluorobenzenes (CHEBI:83575)
	praliciguat (CHEBI:142431) is a organofluorine compound (CHEBI:37143)
	praliciguat (CHEBI:142431) is a pyrazoles (CHEBI:26410)
	praliciguat (CHEBI:142431) is a secondary amino compound (CHEBI:50995)
	praliciguat (CHEBI:142431) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
1,1,1,3,3,3-hexafluoro-2-[({5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]pyrimidin-4-yl}amino)methyl]propan-2-ol

INNs	Source
praliciguat	WHO MedNet
praliciguat	WHO MedNet
praliciguatum	WHO MedNet
praliciguat	WHO MedNet

Synonym	Source
IW-1973	SUBMITTER

Manual Xrefs	Databases
WO2017095697	Patent
WO2014144100	Patent

Registry Numbers	Sources
Reaxys:27468841	Reaxys
CAS:1628730-49-3	ChemIDplus

Citations