Drug General Information
Drug ID
D09XJH
Former ID
DNC009740
Drug Name
Ezetimibe-glucuronide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530100]
Structure
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2D MOL

3D MOL

Formula
C30H29F2NO9
Canonical SMILES
C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)<br />F)O)OC5C(C(C(C(O5)C(=O)O)O)O)O
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
InChIKey
UOFYCFMTERCNEW-ADEYADIWSA-N
PubChem Compound ID
Target and Pathway
Target(s) Niemann-Pick C1-like protein 1 Target Info Inhibitor [530100]
KEGG Pathway Fat digestion and absorption
WikiPathways Vitamin A and Carotenoid Metabolism
References
Ref 530100Bioorg Med Chem Lett. 2009 Jun 1;19(11):2965-8. Epub 2009 Apr 17.Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening.
Ref 530100Bioorg Med Chem Lett. 2009 Jun 1;19(11):2965-8. Epub 2009 Apr 17.Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening.

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