SB-216641

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H30N4O4
Molecular Weight	486.5622
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OCCN(C)C)C=C(NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3C)C4=NOC(C)=N4)C=C1

InChI

InChIKey=JRNUKVFYILMMLX-UHFFFAOYSA-N

InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33)

HIDE SMILES / InChI

Molecular Formula	C28H30N4O4
Molecular Weight	486.5622
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin 1b (5-HT1b) receptor 46 Target ID: CHEMBL1898 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9548813	Binding Agent 1064	9.0 null [pKi]
Serotonin 1d (5-HT1d) receptor 52 Target ID: CHEMBL1983 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9548813	Binding Agent 1064	7.5 null [pKi]
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9548813	Binding Agent 1064	7.3 null [pKi]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:15:39 GMT 2023` Edited by `admin` on `Sat Dec 16 08:15:39 GMT 2023`
Record UNII	ZM4360761C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SB-216641

Common Name

English

(1,1'-BIPHENYL)-4-CARBOXAMIDE, N-(3-(2-(DIMETHYLAMINO)ETHOXY)-4-METHOXYPHENYL)-2'-METHYL-4'-(5-METHYL-1,2,4-OXADIAZOL-3-YL)-

Systematic Name

English

SB 216641

Code

English

N-(3-(2-(DIMETHYLAMINO)ETHOXY)-4-METHOXYPHENYL)-2'-METHYL-4'-(5-METHYL-1,2,4-OXADIAZOL-3-YL)(1,1'-BIPHENYL)-4-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

3292447