Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09XJH
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| Former ID |
DNC009740
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| Drug Name |
Ezetimibe-glucuronide
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| Synonyms |
ezetimibe-glucuronide; 190448-57-8; Ezetimibe b-D-glucuronide; CHEMBL321017; Ezetimibe beta-D-Glucuronide; Ezetimibe Phenoxy Glucuronide; EZM-G; Sch-58235 Glucuronide; Sch 58235 Glucuronide; A-D-Glucuronide; Ezetimibe Phenexy Glucuronide; Sch 60663; SCHEMBL10027374; CTK8F0579; DTXSID10432454; ZINC3975560; Ezetimibe Phenoxy; BDBM50240720; AKOS030241675; B-D-GLUCOPYRANOSIDURONIC ACID,4-[(2S,3R)-1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-OXO-2-AZETIDINYL]PHENYL; RT-012671
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C30H29F2NO9
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| Canonical SMILES |
C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)OC5C(C(C(C(O5)C(=O)O)O)O)O
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| InChI |
1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1
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| InChIKey |
UOFYCFMTERCNEW-ADEYADIWSA-N
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| CAS Number |
CAS 190448-57-8
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Niemann-Pick C1-like protein 1 (NPC1L1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Fat digestion and absorption | |||
| WikiPathways | Vitamin A and Carotenoid Metabolism | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening. Bioorg Med Chem Lett. 2009 Jun 1;19(11):2965-8. | |||
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