ATACIGUAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QP166M390Q

Structure
InChI Key PQHLRGARXNPFCF-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ACTIVATOR Soluble guanylate cyclase activator PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Aortic Valve Stenosis 2 D001024 ClinicalTrials
Intermittent Claudication 2 D007383 ClinicalTrials
Pain 2 D010146 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 254877-67-3
ChEMBL CHEMBL2107729
DrugBank DB12805
EPA CompTox DTXSID7048746
FDA SRS QP166M390Q
Guide to Pharmacology 5141
PubChem 213037
SureChEMBL SCHEMBL491675
ZINC ZINC000003612878
CONTENTS