Details of the Drug

General Information of Drug (ID: DMWO3N6)

Drug Name
Indeloxazine
Synonyms Elen; Noin; Indeloxazine hydrochloride; YM-08054
Indication
Disease Entry ICD 11 Status REF
Dementia 6D80-6D86 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 231.29
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H17NO2
IUPAC Name
2-(3H-inden-4-yloxymethyl)morpholine
Canonical SMILES
C1COC(CN1)COC2=CC=CC3=C2CC=C3
InChI
InChI=1S/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2
InChIKey
MADRVGBADLFHMO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3704
ChEBI ID
CHEMBL5894
CAS Number
60929-23-9
TTD ID
D07TGY
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Dementia
ICD Disease Classification 6D80-6D86
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015