Drug Information

Drug General Information
Drug ID
D0K9YR
Former ID
DNC010135
Drug Name
SCH-54470
Drug Type
Small molecular drug
Indication Discovery agent Terminated [546391]
Formula
C33H46N5O8PS
Canonical SMILES
CS(=O)(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)P(=O)(CC2(CCCC2<br />)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O
InChI
1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1
InChIKey
UBQFBYMIHFXWBF-YTCPBCGMSA-N
PubChem Compound ID
9810328
Target and Pathway
Target(s) Angiotensin-converting enzyme Target Info Inhibitor [530505]
Endothelin-converting enzyme 1 Target Info Inhibitor [530505]
Neutral endopeptidase Target Info Inhibitor [530505]
KEGG Pathway Renin-angiotensin system
Chagas disease (American trypanosomiasis)
Hypertrophic cardiomyopathy (HCM)hsa04614:Renin-angiotensin system
Hematopoietic cell lineage
Protein digestion and absorption
Alzheimer's disease
NetPath Pathway EGFR1 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Endothelin signaling pathway
PathWhiz Pathway Angiotensin Metabolism
Reactome Metabolism of Angiotensinogen to AngiotensinsR-HSA-2022377:Metabolism of Angiotensinogen to Angiotensins
WikiPathways ACE Inhibitor Pathway
Metabolism of Angiotensinogen to AngiotensinsWP706:SIDS Susceptibility Pathways
Corticotropin-releasing hormone
Endothelin PathwaysWP2729:Metabolism of Angiotensinogen to Angiotensins
Primary Focal Segmental Glomerulosclerosis FSGS
Alzheimers Disease
References
Ref 546391Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007872)
Ref 530505J Med Chem. 2010 Jan 14;53(1):208-20.Phosphinic tripeptides as dual angiotensin-converting enzyme C-domain and endothelin-converting enzyme-1 inhibitors.

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