Details of the Drug

General Information of Drug (ID: DMEC8E2)

Drug Name

Anle138b

Synonyms

Anle138b; 882697-00-9; Emrusolmin; ANLE-138b; 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole; Emrusolmin [INN]; E7WRA77JET; 5-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-1H-pyrazole; CHEMBL4748063; 3-(Benzo[d][1,3]dioxol-5-yl)-5-(3-bromophenyl)-1H-pyrazole; 1H-Pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-; Anle 138b; UNII-E7WRA77JET; Anle 138b; Anle-138b; SCHEMBL1660250; SCHEMBL21440048; BCP32558; Anle138b, >=98% (HPLC); BDBM50553260; MFCD30146410; NSC805132; s6782; AKOS037649277; CS-6522; DB13927; NSC-805132; BS-17773; HY-101855; D80685; EN300-331610; A858288; Z2327237898; 3-(1,3-dioxaindan-5-yl)-5-(3-bromophenyl)-1H-pyrazole

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Phase 1	[1]
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Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C16H11BrN2O2
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3)C4=CC(=CC=C4)Br
InChI: 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)
InChIKey: RCQIIBJSUWYYFU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44608289
TTD ID: DS8V3L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Synuclein alpha (SNCA)	TT08OSU	SYUA_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Parkinson disease

ICD Disease Classification

8A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Synuclein alpha (SNCA)	DTT	SNCA	1.04E-01	-0.26	-0.33

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04685265) A Study to Assess the Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of Multiple Ascending Oral Doses of anle138b, and to Characterise the Effect of Food of anle138b in Mild to Moderate Parkinson's Disease. U.S.National Institutes of Health.
2	Anle138b interaction in alpha-synuclein aggregates by dynamic nuclear polarization NMR. Methods. 2023 Jun;214:18-27.