Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00OPO
|
|||
| Former ID |
DIB019240
|
|||
| Drug Name |
PMID9871507C14
|
|||
| Synonyms |
GTPL3106; BDBM50068845
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C43H46N2O10
|
|||
| Canonical SMILES |
CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3CC(C(C3C(=O)O)(CC(=O)O)C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5
|
|||
| InChI |
1S/C43H46N2O10/c1-3-23-44(27-29-15-19-33(20-16-29)54-31-11-7-5-8-12-31)39(48)35-25-36(43(42(52)53,26-37(46)47)38(35)41(50)51)40(49)45(24-4-2)28-30-17-21-34(22-18-30)55-32-13-9-6-10-14-32/h5-22,35-36,38H,3-4,23-28H2,1-2H3,(H,46,47)(H,50,51)(H,52,53)/t35-,36-,38+,43-/m0/s1
|
|||
| InChIKey |
SZUVGFMDDVSKSI-WIFOCOSTSA-N
|
|||
| 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 | Cyclopentanedi- and tricarboxylic acids as squalene synthase inhibitors: syntheses and evaluation. Bioorg Med Chem Lett. 1998 Apr 21;8(8):891-6. | |||
| 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: 3106). | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.