Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07ICD
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| Former ID |
DIB019468
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| Drug Name |
PMID12238936C3a
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| Synonyms |
GTPL3085; BDBM50118904
Click to Show/Hide
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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 |
C26H31ClN2O8
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| Canonical SMILES |
CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC(=O)O)C3=C(C(=CC=C3)OC)OC)CO
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| InChI |
1S/C26H31ClN2O8/c1-26(2,14-30)13-29-18-9-8-15(27)10-17(18)23(16-6-5-7-19(35-3)24(16)36-4)37-20(25(29)34)11-21(31)28-12-22(32)33/h5-10,20,23,30H,11-14H2,1-4H3,(H,28,31)(H,32,33)/t20-,23-/m1/s1
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| InChIKey |
CONNCFGSWRVAOP-NFBKMPQASA-N
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| CAS Number |
CAS 473987-15-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| 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 | |||
|---|---|---|---|---|
| REF 1 | Synthesis of novel 4,1-benzoxazepine derivatives as squalene synthase inhibitors and their inhibition of cholesterol synthesis. J Med Chem. 2002 Sep 26;45(20):4571-80. | |||
| 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: 3085). | |||
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