BMS-248360

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H45N5O5S
Molecular Weight	659.838
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C(CN4CCC(C)(C)C4=O)=C3)C5=CC=CC=C5S(=O)(=O)NC6=C(C)C(C)=NO6

InChI

InChIKey=NBDFXMDYBLSGLX-UHFFFAOYSA-N

InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C36H45N5O5S
Molecular Weight	659.838
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
Type-1 angiotensin II receptor 40 Target ID: CHEMBL227 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12190306	Antagonist 2778		10.0 nM [Ki]
Endothelin-1 receptor 6 Target ID: P25101\|\|\|Q16433 Gene ID: 1909.0 Gene Symbol: EDNRA Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12190306	Antagonist 2778		1.9 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:27:37 UTC 2023` Edited by `admin` on `Sat Dec 16 09:27:37 UTC 2023`
Record UNII	EEP77N970Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-248360

Common Name

English

(1,1'-BIPHENYL)-2-SULFONAMIDE, 4'-((2-BUTYL-4-OXO-1,3-DIAZASPIRO(4.4)NON-1-EN-3-YL)METHYL)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-2'-((3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL)METHYL)-

Systematic Name

English

Code System Code Type Description

CAS

254737-87-6

Created by admin on Sat Dec 16 09:27:37 UTC 2023 , Edited by admin on Sat Dec 16 09:27:37 UTC 2023

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PUBCHEM

9895957

Created by admin on Sat Dec 16 09:27:37 UTC 2023 , Edited by admin on Sat Dec 16 09:27:37 UTC 2023

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FDA UNII

EEP77N970Y

Created by admin on Sat Dec 16 09:27:37 UTC 2023 , Edited by admin on Sat Dec 16 09:27:37 UTC 2023

PRIMARY

Related Record Type Details


					EEP77N970Y

BMS-248360

ACTIVE MOIETY