EMRUSOLMIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H11BrN2O2
Molecular Weight	343.175
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EMRUSOLMIN

Structure Search

SMILES

BrC1=CC(=CC=C1)C2=CC(=NN2)C3=CC4=C(OCO4)C=C3

InChI

InChIKey=RCQIIBJSUWYYFU-UHFFFAOYSA-N

InChI=1S/C16H11BrN2O2/c17-12-3-1-2-10(6-12)13-8-14(19-18-13)11-4-5-15-16(7-11)21-9-20-15/h1-8H,9H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C16H11BrN2O2
Molecular Weight	343.175
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Prion protein 1 Target ID: CHEMBL4869 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23604588	Binding Agent 1076
Alpha-synuclein 1 Target ID: CHEMBL6152 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23604588	Binding Agent 1076

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:11:28 GMT 2025` Edited by `admin` on `Wed Apr 02 07:11:28 GMT 2025`
Record UNII	E7WRA77JET
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ANLE-138B

Preferred Name

English

EMRUSOLMIN

Official Name

English

ANLE138B

Code

English

1H-PYRAZOLE, 3-(1,3-BENZODIOXOL-5-YL)-5-(3-BROMOPHENYL)-

Systematic Name

English

emrusolmin [INN]

Common Name

English

3-(1,3-BENZODIOXOL-5-YL)-5-(3-BROMOPHENYL)-1H-PYRAZOLE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

898522

Created by admin on Wed Apr 02 07:11:28 GMT 2025 , Edited by admin on Wed Apr 02 07:11:28 GMT 2025

Code System Code Type Description

PUBCHEM

44608289

Created by admin on Wed Apr 02 07:11:28 GMT 2025 , Edited by admin on Wed Apr 02 07:11:28 GMT 2025

PRIMARY

FDA UNII

E7WRA77JET

Created by admin on Wed Apr 02 07:11:28 GMT 2025 , Edited by admin on Wed Apr 02 07:11:28 GMT 2025

PRIMARY

NCI_THESAURUS

C188568

Created by admin on Wed Apr 02 07:11:28 GMT 2025 , Edited by admin on Wed Apr 02 07:11:28 GMT 2025

PRIMARY

INN

12058

Created by admin on Wed Apr 02 07:11:28 GMT 2025 , Edited by admin on Wed Apr 02 07:11:28 GMT 2025

PRIMARY

CAS

882697-00-9

Created by admin on Wed Apr 02 07:11:28 GMT 2025 , Edited by admin on Wed Apr 02 07:11:28 GMT 2025

PRIMARY

SMS_ID

300000016922

Created by admin on Wed Apr 02 07:11:28 GMT 2025 , Edited by admin on Wed Apr 02 07:11:28 GMT 2025

PRIMARY

Related Record Type Details


					L9E2OD8XIY

ALPHA-SYNUCLEIN

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					E7WRA77JET

ACTIVE MOIETY

Amount: