General Information of Drug (ID: DMMD9A0)

Drug Name
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
Synonyms
CHEMBL61616; 228272-02-4; N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine; SCHEMBL12827198; CTK0J6066; DTXSID40436622; BDBM50115808; AKOS030595283; Dimethyl 2-(3-pyridinyloxy)ethylamine; Dimethyl-[2-(pyridin-3-yloxy)-ethyl]-amine; N,N-dimethyl-2-(pyridin-3-yloxy)ethanaminium; Ethanamine, N,N-dimethyl-2-(3-pyridinyloxy)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 166.22
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H14N2O
IUPAC Name
N,N-dimethyl-2-pyridin-3-yloxyethanamine
Canonical SMILES
CN(C)CCOC1=CN=CC=C1
InChI
InChI=1S/C9H14N2O/c1-11(2)6-7-12-9-4-3-5-10-8-9/h3-5,8H,6-7H2,1-2H3
InChIKey
NNKLMOMWOOXRDH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10197862
CAS Number
228272-02-4
TTD ID
D0A7HM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuronal acetylcholine receptor alpha-4 (CHRNA4) TT4H1MQ ACHA4_HUMAN Inhibitor [1]
Neuronal acetylcholine receptor beta-2 (CHRNB2) TT5KPZR ACHB2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Neuronal acetylcholine receptor beta-2 (CHRNB2) DTT CHRNB2 7.10E-08 -0.15 -0.85
Neuronal acetylcholine receptor alpha-4 (CHRNA4) DTT CHRNA4 3.51E-10 -0.15 -0.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and analgesic activity of secondary amine analogues of pyridylmethylamine and positional isomeric analogues of ABT-594. Bioorg Med Chem Lett. 2006 Apr 1;16(7):2013-6.