RUNCACIGUAT

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Synonyms
Status
Molecule Category Free-form
UNII 5EZ01YDT5S

Structure

InChI Key NCRMKIWHFXSBGZ-CNBXIYLPSA-N
Smiles C[C@H]([C@H](C(=O)Nc1cc([C@@H](CC(=O)O)C2CC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F
InChI
InChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17+,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22Cl2F3NO3
Molecular Weight 488.33
AlogP 6.88
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 66.4
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Soluble guanylate cyclase activator ACTIVATOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Oryctolagus cuniculus
- 39-199 - - -
Rattus norvegicus
2.1-11.2 - - - -
Sus scrofa
- 137 - - -

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
ChEMBL CHEMBL4650322
FDA SRS 5EZ01YDT5S
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