ATACIGUAT

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Synonyms
Status
Molecule Category Free-form
UNII QP166M390Q
EPA CompTox DTXSID7048746

Structure

InChI Key PQHLRGARXNPFCF-UHFFFAOYSA-N
Smiles O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1
InChI
InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19Cl2N3O6S3
Molecular Weight 576.51
AlogP 4.13
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 121.88
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Soluble guanylate cyclase activator ACTIVATOR PubMed

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 CHEMBL2107729
DrugBank DB12805
FDA SRS QP166M390Q
Guide to Pharmacology 5141
PubChem 213037
SureChEMBL SCHEMBL491675
ZINC ZINC000003612878
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