FEXARAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H36N2O3
Molecular Weight	496.6398
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)\C=C\C1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)N(C)C)C(=O)C4CCCCC4

InChI

InChIKey=VLQTUNDJHLEFEQ-KGENOOAVSA-N

InChI=1S/C32H36N2O3/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/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+

HIDE SMILES / InChI

Molecular Formula	C32H36N2O3
Molecular Weight	496.6398
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bile acid receptor FXR 31 Target ID: CHEMBL2047 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16821780\|https://www.ncbi.nlm.nih.gov/pubmed/12929628	Agonist 2678		25.0 nM [EC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:46:16 GMT 2023` Edited by `admin` on `Sat Dec 16 11:46:16 GMT 2023`
Record UNII	WTG9GFA65U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEXARAMINE

Common Name

English

(E)-METHYL 3-(3-(N-((4'-(DIMETHYLAMINO)-(1,1'-BIPHENYL)-4-YL)METHYL)CYCLOHEXANECARBOXAMIDO)PHENYL)ACRYLATE

Systematic Name

English

2-PROPENOIC ACID, 3-(3-((CYCLOHEXYLCARBONYL)((4'-(DIMETHYLAMINO)(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)PHENYL)-, METHYL ESTER

Systematic Name

English

METHYL (2E)-3-(3-(N-((4-(4-(DIMETHYLAMINO)PHENYL)PHENYL)METHYL)CYCLOHEXANEAMIDO)PHENYL)PROP-2-ENOATE

Systematic Name

English

3-(3-((CYCLOHEXYLCARBONYL)-((4'-(DIMETHYLAMINO)-(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)PHENYL)-2-PROPENOICACIDMETHYLESTER

Systematic Name

English

Code System Code Type Description

DRUG BANK

DB02545