RIOCIGUAT

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C02KX05
UNII RU3FE2Y4XI

Structure

InChI Key WXXSNCNJFUAIDG-UHFFFAOYSA-N
Smiles COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChI
InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19FN8O2
Molecular Weight 422.42
AlogP 2.44
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 138.07
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Soluble guanylate cyclase positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR DailyMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
180-300 - - - -

Target Conservation

Protein: Soluble guanylate cyclase
Description: Guanylate cyclase soluble subunit alpha-2
Organism : Homo sapiens
P33402 ENSG00000152402
Protein: Soluble guanylate cyclase
Description: Guanylate cyclase soluble subunit alpha-1
Organism : Homo sapiens
Q02108 ENSG00000164116
Protein: Soluble guanylate cyclase
Description: Guanylate cyclase soluble subunit beta-1
Organism : Homo sapiens
Q02153 ENSG00000061918

Related Entries

Cross References

Resources Reference
ChEBI 76018
ChEMBL CHEMBL2107834
DrugBank DB08931
DrugCentral 4807
FDA SRS RU3FE2Y4XI
Guide to Pharmacology 5257
PDB GZO
PubChem 11304743
SureChEMBL SCHEMBL245457
ZINC ZINC000003819392
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