Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09SZG
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| Former ID |
DNC002591
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| Drug Name |
[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala
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| Synonyms |
[2(R,S)-2-Sulfanylheptanoyl]-phe-ala; [2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA; TI1; AC1NRDCJ; 1qf1; DB02597; N-[(2S)-2-sulfanylheptanoyl]-L-phenylalanyl-L-alanine; N-[N-[(S)-2-Mercaptoheptanoyl]-L-phenylalanyl]-L-alanine; (2S)-2-[[(2S)-3-phenyl-2-[[(2S)-2-sulfanylheptanoyl]amino]propanoyl]amino]propanoic acid; (2S)-2-[(2S)-3-phenyl-2-[(2S)-2-sulfanylheptanamido]propanamido]propanoic
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H28N2O4S
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| Canonical SMILES |
CCCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)O)S
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| InChI |
1S/C19H28N2O4S/c1-3-4-6-11-16(26)18(23)21-15(12-14-9-7-5-8-10-14)17(22)20-13(2)19(24)25/h5,7-10,13,15-16,26H,3-4,6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15-,16-/m0/s1
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| InChIKey |
GOIYKVXXGCPHQU-BPUTZDHNSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neutral endopeptidase (MME) | Target Info | Inhibitor | [2] |
| Poly [ADP-ribose] polymerase 1 (PARP1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Renin-angiotensin system | |||
| Hematopoietic cell lineage | ||||
| Protein digestion and absorption | ||||
| Alzheimer's disease | ||||
| Base excision repair | ||||
| NF-kappa B signaling pathway | ||||
| NetPath Pathway | EGFR1 Signaling Pathway | |||
| TGF_beta_Receptor Signaling Pathway | ||||
| Panther Pathway | FAS signaling pathway | |||
| Pathway Interaction Database | Integrin-linked kinase signaling | |||
| Caspase Cascade in Apoptosis | ||||
| Notch-mediated HES/HEY network | ||||
| Reactome | Metabolism of Angiotensinogen to Angiotensins | |||
| Dual Incision in GG-NER | ||||
| WikiPathways | Metabolism of Angiotensinogen to Angiotensins | |||
| Primary Focal Segmental Glomerulosclerosis FSGS | ||||
| Alzheimers Disease | ||||
| FAS pathway and Stress induction of HSP regulation | ||||
| Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer | ||||
| Nanoparticle triggered regulated necrosis | ||||
| Corticotropin-releasing hormone | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Identification of potent nontoxic poly(ADP-Ribose) polymerase-1 inhibitors: chemopotentiation and pharmacological studies. Clin Cancer Res. 2003 Jul;9(7):2711-8. | |||
| REF 2 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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