Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H17FN8O2 |
Molecular Weight | 408.3891 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)NC1=C(N)N=C(N=C1N)C2=NN(CC3=C(F)C=CC=C3)C4=NC=CC=C24
InChI
InChIKey=FTQHGWIXJSSWOY-UHFFFAOYSA-N
InChI=1S/C19H17FN8O2/c1-30-19(29)24-14-15(21)25-17(26-16(14)22)13-11-6-4-8-23-18(11)28(27-13)9-10-5-2-3-7-12(10)20/h2-8H,9H2,1H3,(H,24,29)(H4,21,22,25,26)
Molecular Formula | C19H17FN8O2 |
Molecular Weight | 408.3891 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Nelociguat, a soluble guanylate cyclase (sGC) activator, has been in phase II clinical trials by Bayer for the treatment of erectile dysfunction and heart failure. However, no recent development has been reported. Nelociguat is a direct soluble guanylate cyclase (sGC) stimulator that acts independently of nitric oxide (NO); has an EC50 of 353 nM on P-VASP formation in rat aortic smooth muscle cells. BAY 60-4552 is pharmacologically active major metabolite of Riociguat.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: CHEMBL2111348 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27784018 |
PubMed
Title | Date | PubMed |
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Comparison of soluble guanylate cyclase stimulators and activators in models of cardiovascular disease associated with oxidative stress. | 2012 |
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Synergistic effects of BAY 60-4552 and vardenafil on relaxation of corpus cavernosum tissue of patients with erectile dysfunction and clinical phosphodiesterase type 5 inhibitor failure. | 2013 May |
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Renal effects of soluble guanylate cyclase stimulators and activators: a review of the preclinical evidence. | 2015 Apr |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT00565565
Heart Failure: Single dose escalation planned at dose of 1 mg, 2.5 mg, 5 mg, 7.5 mg, and 10 mg
Route of Administration:
Oral
In Vitro Use Guide
Sources: http://www.probechem.com/products_Nelociguat.aspx
Nelociguat has an EC50 of 353 nM on P-VASP formation in rat aortic smooth muscle cells.
Substance Class |
Chemical
Created
by
admin
on
Edited
Thu Jul 06 03:36:25 UTC 2023
by
admin
on
Thu Jul 06 03:36:25 UTC 2023
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Record UNII |
M2A18LL56O
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Record Status |
Validated (UNII)
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300000034301
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M2A18LL56O
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9477
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11690019
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149785
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625115-52-8
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C174685
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Related Record | Type | Details | ||
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BINDER->LIGAND |
The protein binding of M1 is ~97% and is concentration independent.
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Related Record | Type | Details | ||
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PARENT -> METABOLITE LESS ACTIVE |
MAJOR
FECAL; PLASMA; URINE
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Tmax | PHARMACOKINETIC |
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