Drug Information
Drug General Information | Top | |||
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Drug ID |
D07KJI
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Former ID |
DIB019476
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Drug Name |
PMID7966163C3f
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Synonyms |
GTPL3116; BDBM50038120
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
Structure |
Download2D MOL
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Formula |
C42H54O15
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Canonical SMILES |
CC(CC1=CC=CC=C1)C(C(=C)CCC23C(C(C(O2)(C(C(O3)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)CCCCCCCCCCOC4=CC=CC=C4)O)OC(=O)C
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InChI |
1S/C42H54O15/c1-27(33(54-29(3)43)28(2)26-30-18-12-10-13-19-30)23-24-40-34(45)35(42(57-40,39(50)51)41(52,38(48)49)36(56-40)37(46)47)55-32(44)22-16-8-6-4-5-7-9-17-25-53-31-20-14-11-15-21-31/h10-15,18-21,28,33-36,45,52H,1,4-9,16-17,22-26H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t28-,33-,34-,35-,36?,40?,41?,42?/m1/s1
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InChIKey |
MNIPVWXWSPXERA-IDNZQHFXSA-N
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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Target(s) | Squalene synthetase (FDFT1) | Target Info | Inhibitor | [1] |
BioCyc | Cholesterol biosynthesis II (via 24,25-dihydrolanosterol) | |||
Cholesterol biosynthesis III (via desmosterol) | ||||
Cholesterol biosynthesis I | ||||
Superpathway of cholesterol biosynthesis | ||||
Epoxysqualene biosynthesis | ||||
KEGG Pathway | Steroid biosynthesis | |||
Metabolic pathways | ||||
Biosynthesis of antibiotics | ||||
Panther Pathway | Cholesterol biosynthesis | |||
Pathwhiz Pathway | Steroid Biosynthesis | |||
Reactome | Cholesterol biosynthesis | |||
PPARA activates gene expression | ||||
Activation of gene expression by SREBF (SREBP) | ||||
WikiPathways | Statin Pathway | |||
Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha) | ||||
Activation of Gene Expression by SREBP (SREBF) | ||||
SREBP signalling | ||||
Cholesterol Biosynthesis | ||||
Cholesterol biosynthesis |
References | Top | |||
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REF 1 | Structure-activity relationships of C1 and C6 side chains of zaragozic acid A derivatives. J Med Chem. 1994 Nov 11;37(23):4031-51. | |||
REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3116). |
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