BIBS-39

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H36N4O3
Molecular Weight	524.6532
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC1=NC2=C(C=C(NC(=O)NC3CCCCC3)C=C2)N1CC4=CC=C(C=C4)C5=C(C=CC=C5)C(O)=O

InChI

InChIKey=OLQFKFSAJNUOPT-UHFFFAOYSA-N

InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)

HIDE SMILES / InChI

Molecular Formula	C32H36N4O3
Molecular Weight	524.6532
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-2 angiotensin II receptor 1 Target ID: P50052 Gene ID: 186.0 Gene Symbol: AGTR2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/1397034	Antagonist 2778		480.0 nM [Ki]
Type-1 angiotensin II receptor 40 Target ID: P30556 Gene ID: 185.0 Gene Symbol: AGTR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/1397034	Antagonist 2778		29.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:09:59 GMT 2023` Edited by `admin` on `Fri Dec 15 18:09:59 GMT 2023`
Record UNII	NV95PEF62M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIBS-39

Common Name

English

(1,1'-BIPHENYL)-2-CARBOXYLIC ACID, 4'-((2-BUTYL-6-(((CYCLOHEXYLAMINO)CARBONYL)AMINO)-1H-BENZIMIDAZOL-1-YL)METHYL)-

Systematic Name

English

4'-((2-BUTYL-6-(((CYCLOHEXYLAMINO)CARBONYL)AMINO)-1H-BENZIMIDAZO-1-YL)METHYL)-(1,1'-BIPHENYL)-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

133085-33-3

Created by admin on Fri Dec 15 18:09:59 GMT 2023 , Edited by admin on Fri Dec 15 18:09:59 GMT 2023

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EPA CompTox

DTXSID60157943

Created by admin on Fri Dec 15 18:09:59 GMT 2023 , Edited by admin on Fri Dec 15 18:09:59 GMT 2023

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PUBCHEM

131590

Created by admin on Fri Dec 15 18:09:59 GMT 2023 , Edited by admin on Fri Dec 15 18:09:59 GMT 2023

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FDA UNII

NV95PEF62M

Created by admin on Fri Dec 15 18:09:59 GMT 2023 , Edited by admin on Fri Dec 15 18:09:59 GMT 2023

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