Details of the Drug

General Information of Drug (ID: DMGWYJR)

Drug Name
Imidazo[1,2-b]pyridazine acetamide derivative 5
Synonyms PMID27607364-Compound-150
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 415.3
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H23BrN4O
IUPAC Name
2-[2-(4-bromophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
Canonical SMILES
CCN(CC)C(=O)CC1=C(N=C2N1N=C(C=C2C)C)C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H23BrN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3
InChIKey
WBBNDNCIVIIEMF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44197010
ChEBI ID
CHEMBL3659632
TTD ID
D07RWQ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Translocator protein (TSPO) TTPTXIN TSPO_HUMAN Ligand [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Translocator protein (TSPO) ligands for the diagnosis or treatment of neurodegenerative diseases: a patent review (2010-2015; part 1).Expert Opin Ther Pat. 2016 Nov;26(11):1325-1351.