VIRSTATIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H13NO4
Molecular Weight	283.2787
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChIKey=ZHXRDXTYPCPBTI-UHFFFAOYSA-N

InChI=1S/C16H13NO4/c18-13(19)8-3-9-17-15(20)11-6-1-4-10-5-2-7-12(14(10)11)16(17)21/h1-2,4-7H,3,8-9H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C16H13NO4
Molecular Weight	283.2787
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
Acinetobacter baumannii 1 Target ID: CHEMBL614425 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24621315	Inhibitor 8297
TCP pilus virulence regulatory protein 1 Target ID: A5F384 Gene ID: NA Gene Symbol: tcpN Target Organism: Vibrio cholerae serotype O1 (strain ATCC 39541 / Classical Ogawa 395 /\|\|\|O395) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25733618 \| https://www.ncbi.nlm.nih.gov/pubmed/17283330 \| https://www.ncbi.nlm.nih.gov/pubmed/16223984	Inhibitor 8297

PubMed

Title	Date	PubMed
Virstatin inhibits biofilm formation and motility of Acinetobacter baumannii.	2014 Mar 12	24621315
Design of an anti-adhesive surface by a pilicide strategy.	2016 Oct 1	27469573

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:55:12 UTC 2023` Edited by `admin` on `Sat Dec 16 16:55:12 UTC 2023`
Record UNII	24SR2Q1Y6M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VIRSTATIN

Common Name

English

Isodibut [WHO-DD]

Common Name

English

4-(1,3-DIOXO-1H,3H-BENZO(DE)ISOQUINOLIN-2-YL)-BUTYRIC ACID

Systematic Name

English

ISODIBUT

Common Name

English

1H-BENZ(DE)ISOQUINOLINE-2(3H)-BUTANOIC ACID, 1,3-DIOXO-

Systematic Name

English

1,3-DIOXO-1H-BENZ(DE)ISOQUINOLINE-2(3H)-BUTANOIC ACID

Common Name

English

ALX-430-147

Common Name

English

4-(N-(1,8-NAPHTHALIMIDO))-N-BUTYRIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

145949