Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0J1DW
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| Former ID |
DNC013649
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| Drug Name |
Trisnorsqualene cyclopropylamine
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| Synonyms |
Trisnorsqualene CA; AC1O5R3E; 123594-76-3; Cyclopropanamine, N-(4,8,13,17,21-pentamethyl-4,8,12,16,20-docosapentaenyl)-, (all-E)-
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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 |
C30H51N
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| Canonical SMILES |
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCCNC1CC1)C)C)C
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| InChI |
1S/C30H51N/c1-25(2)13-9-16-28(5)19-10-17-26(3)14-7-8-15-27(4)18-11-20-29(6)21-12-24-31-30-22-23-30/h13-15,19-20,30-31H,7-12,16-18,21-24H2,1-6H3/b26-14+,27-15+,28-19+,29-20+
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| InChIKey |
AWTJYTFLSJBJTO-CQNOQWDGSA-N
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| CAS Number |
CAS 123594-76-3
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Squalene monooxygenase (SQLE) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Steroid biosynthesis | |||
| Sesquiterpenoid and triterpenoid biosynthesis | ||||
| Metabolic pathways | ||||
| Biosynthesis of secondary metabolites | ||||
| Biosynthesis of antibiotics | ||||
| Pathwhiz Pathway | Steroid Biosynthesis | |||
| Reactome | Cholesterol biosynthesis | |||
| Activation of gene expression by SREBF (SREBP) | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4. | |||
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