BMY-45778

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H18N2O5
Molecular Weight	438.4315
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)COC1=CC(=CC=C1)C2=C(N=CO2)C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=DSRSEEYZGWTODH-UHFFFAOYSA-N

InChI=1S/C26H18N2O5/c29-21(30)15-31-20-13-7-12-19(14-20)24-23(27-16-32-24)26-28-22(17-8-3-1-4-9-17)25(33-26)18-10-5-2-6-11-18/h1-14,16H,15H2,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C26H18N2O5
Molecular Weight	438.4315
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	Condition	Potency
Prostacyclin receptor 9 Target ID: P43119 Gene ID: 5739.0 Gene Symbol: PTGIR Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9068064	Partial Agonist 290		7.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:12:16 GMT 2023` Edited by `admin` on `Fri Dec 15 19:12:16 GMT 2023`
Record UNII	9KN2XYY2XA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BMY-45778

Code

English

Acetic acid, 2-[3-(4,5-diphenyl[2,4′-bioxazol]-5′-yl)phenoxy]-

Systematic Name

English

2-[3-(4,5-Diphenyl[2,4′-bioxazol]-5′-yl)phenoxy]acetic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

127861