FEX

METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE

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Chemical Component Summary
Name	METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE
Synonyms	FEXARAMINE
Identifiers	methyl 3-[3-[cyclohexylcarbonyl-[[4-(4-dimethylaminophenyl)phenyl]methyl]amino]phenyl]propanoate
Formula	C₃₂ H₃₈ N₂ O₃
Molecular Weight	498.656
Type	NON-POLYMER
Isomeric SMILES	CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4
InChI	InChI=1S/C32H38N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-13,15-20,22,28H,4-6,9-10,14,21,23H2,1-3H3
InChIKey	GXGGBYHHVMOCJL-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	75
Chiral Atom Count	0
Bond Count	78
Aromatic Bond Count	25

Drug Info: DrugBank

DrugBank ID	DB02545
Name	Fexaramine
Groups	experimental
Synonyms	Fexaramine
CAS number	574013-66-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Bile acid receptor	MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQN...	unknown

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