General Information of Drug (ID: DMVX7YB)

Drug Name
Imidazo[1,2-b]pyridazine acetamide derivative 2
Synonyms PMID27607364-Compound-147
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 366.5
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H26N4O2
IUPAC Name
N,N-diethyl-2-[2-(4-methoxyphenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]acetamide
Canonical SMILES
CCN(CC)C(=O)CC1=C(N=C2N1N=C(C=C2C)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)22-21-14(3)12-15(4)23-25(18)21/h8-12H,6-7,13H2,1-5H3
InChIKey
RGPSCAJBNWAKNP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44197007
TTD ID
D0P1TH

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.