P7F

(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid

Created:	2018-07-10
Last modified:	2020-01-15

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	1
Bond Count	69
Aromatic Bond Count	22

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Chemical Component Summary
Name	(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
Formula	C₂₈ H₃₀ N₂ O₆
Molecular Weight	490.548
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCC(C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3
Canonical SMILES	CACTVS	3.385	CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3
InChI	InChI	1.03	InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
InChIKey	InChI	1.03	ZHKNLJLMDFQVHJ-RUZDIDTESA-N

Drug Info: DrugBank

DrugBank ID	DB15212
Name	Pemafibrate
Groups	investigational
Description	Pemafibrate is under investigation in clinical trial NCT03350165 (A Study of Pemafibrate in Patients With Nonalcoholic Fatty Liver Disease (NAFLD)).
Synonyms	Pemafibrate
Categories	Acids, Acyclic Fatty Acids Fatty Acids, Volatile Fibric Acids Heterocyclic Compounds, Fused-Ring Lipid Modifying Agents Lipid Modifying Agents, Plain Lipid Regulating Agents Lipids
ATC-Code	C10AB12
CAS number	848259-27-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peroxisome proliferator-activated receptor alpha	MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG...	unknown	agonist

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682