CINACIGUAT

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Synonyms
Status
Molecule Category Free-form
UNII 59K0Y58UAD

Structure

InChI Key WPYWMXNXEZFMAK-UHFFFAOYSA-N
Smiles O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1
InChI
InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H39NO5
Molecular Weight 565.71
AlogP 7.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 17.0
Polar Surface Area 87.07
Molecular species ZWITTERION
Aromatic Rings 4.0
Heavy Atoms 42.0

Pharmacology

Mechanism of Action Action Reference
Soluble guanylate cyclase activator ACTIVATOR PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
1-4 - - - -

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

Cross References

Resources Reference
ChEBI 142433
ChEMBL CHEMBL1236936
DrugBank DB16126
FDA SRS 59K0Y58UAD
Guide to Pharmacology 5168
PDB Z90
PubChem 9808022
SureChEMBL SCHEMBL249267
ZINC ZINC000003934935
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