Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H19Cl2N3O6S3 |
Molecular Weight | 576.493 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
ClC1=CC=C(S1)S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
InChI
InChIKey=PQHLRGARXNPFCF-UHFFFAOYSA-N
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)
Molecular Formula | C21H19Cl2N3O6S3 |
Molecular Weight | 576.493 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Ataciguat is a novel anthranilic acid derivative that belongs to a new structural class of sGC activators which are capable of activating the oxidized form of sGC. Ataciguat, a nitric oxide-independent soluble guanylate cyclase activator, is being developed by Sanofi (previously sanofi-aventis), in collaboration with Mayo Clinic and National Center for Advancing Translational Sciences. Ataciguat is in phase II clinical trials for the treatment of aortic valve stenosis. It had been used to treat neuropathic pain and peripheral arterial disease, but this research has been discontinued.
Originator
Approval Year
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
Drug as perpetrator
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
no | ||||
yes [IC50 15.4871 uM] | ||||
yes [IC50 2.1876 uM] | ||||
yes | yes (co-administration study) Comment: Coadministration under SS condition increased (S)-warfarin AUCinf by 221% Sources: https://pubmed.ncbi.nlm.nih.gov/17192504/ |
Drug as victim
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
no |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02481258
200mg taken daily for 12 months
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19234300
Ataciguat (1 ul/L) was used to activate sGC in cultured coronary endothelial monolayers and isolated saline-perfused rat hearts.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:50:13 GMT 2023
by
admin
on
Sat Dec 16 15:50:13 GMT 2023
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Record UNII |
QP166M390Q
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C29707
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DB12805
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CHEMBL2107729
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |
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