Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D00PSW
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| Former ID |
DNC008487
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| Drug Name |
MERCK-544
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| Synonyms |
MERCK-544; 327093-42-5; CHEMBL256777; 3-ADAMANTAN-1-YL-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4.3-A]AZEPINE; Compound 544; 3-(Adamantan-1-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine; AC1MTUPG; Merck 544; Oprea1_175789; SCHEMBL5095978; DTXSID40394475; ZINC5494877; BDBM50239401; AKOS015969399; 3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine; MCULE-4943397141; SR-01000029295; SR-01000029295-1; Z55729757; 3-(adamantan-1-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C17H25N3
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| Canonical SMILES |
C1CCC2=NN=C(N2CC1)C34CC5CC(C3)CC(C5)C4
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| InChI |
1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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| InChIKey |
VFTQRHWULYJKCI-UHFFFAOYSA-N
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| CAS Number |
CAS 327093-42-5
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolism of xenobiotics by cytochrome P450 | ||||
| Metabolic pathways | ||||
| Chemical carcinogenesis | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| FSH Signaling Pathway | ||||
| Pathwhiz Pathway | Steroidogenesis | |||
| Reactome | Glucocorticoid biosynthesis | |||
| WikiPathways | Prostaglandin Synthesis and Regulation | |||
| Metabolism of steroid hormones and vitamin D | ||||
| Glucocorticoid & Mineralcorticoid Metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Azabicyclic sulfonamides as potent 11beta-HSD1 inhibitors. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1551-4. | |||
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