General Information of Drug (ID: DM0JDCS)

Drug Name
DBO-83
Synonyms DBO-83; EU-0100452; CHEMBL1527419; Tox21_500452; LP00452; CCG-221756; NCGC00261137-01; NCGC00093868-01; D 7938; SR-01000075832
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 297.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C10H15Cl3N4
IUPAC Name
3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
Canonical SMILES
C1CC2CN(CC1N2)C3=NN=C(C=C3)Cl.Cl.Cl
InChI
InChI=1S/C10H13ClN4.2ClH/c11-9-3-4-10(14-13-9)15-5-7-1-2-8(6-15)12-7;;/h3-4,7-8,12H,1-2,5-6H2;2*1H
InChIKey
FMBGHZXNKMHVDT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9926237
CAS Number
195211-53-1
TTD ID
D0A4RM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nicotinic acetylcholine receptor (nAChR) TTJSZTB NOUNIPROTAC Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The therapeutic potential of nicotinic acetylcholine receptor agonists for pain control. Expert Opin Investig Drugs. 2001 Oct;10(10):1819-30.