Details of the Drug

General Information of Drug (ID: DMW6C81)

Drug Name
Eltoprazine
Synonyms Piperazine derivative (ADHD), PsychoGenics/ReqMed Company; 5-HT1A/5-HT1B agonist and 5-HT2C antagonist (ADHD), PsychoGenics/ReqMed Company
Indication
Disease Entry ICD 11 Status REF
Attention deficit hyperactivity disorder 6A05.Z Phase 3 [1]
Alzheimer disease 8A20 Phase 2 [2]
Dyskinesia MB47.4 Phase 2 [3]
Non-hodgkin lymphoma 2B33.5 Phase 2 [4]
Parkinson disease 8A00.0 Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 220.27
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H16N2O2
IUPAC Name
1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
Canonical SMILES
C1CN(CCN1)C2=C3C(=CC=C2)OCCO3
InChI
InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
InChIKey
WVLHGCRWEHCIOT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65853
ChEBI ID
CHEMBL282614
CAS Number
98224-03-4
UNII
510M006KO6
DrugBank ID
DB12883
TTD ID
D06FKC
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Agonist [5]
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Agonist [5]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Antagonist [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Attention deficit hyperactivity disorder
ICD Disease Classification 6A05.Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 ClinicalTrials.gov (NCT01266174) Effects of Eltoprazine on Cognitive Impairment Associated With Schizophrenia (CIAS) in Adults. U.S. National Institutes of Health.
5 Clinical pipeline report, company report or official report of Jazz Pharmaceuticals.