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]
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
ChEBI ID
CHEMBL4748063
UNII
E7WRA77JET
DrugBank ID
DB13927
TTD ID
DS8V3L
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

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 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) 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.