Details of the Drug

General Information of Drug (ID: DMA28ZX)

Drug Name
SR95531
Synonyms
SMR000326943; Prestwick_764; AC1O4W6K; MLS000862180; MLS002222260; MLS002153143; SCHEMBL593922; C15H17N3O3.BrH; HMS1569I08; HMS3370G11; HMS3713I08; HMS3263H05; HMS2231I20; HMS2096I08; Tox21_501152; AKOS015913760; LP01152; CCG-222456; API0000574; CCG-220443; NCGC00261837-01; NCGC00094415-01; SR-95531, > X6865; EU-0101152; SR-01000780583; SR-01000076238; SR-01000780583-2; SR-01000076238-1; I14-44993; 4-[6-amino-3-(4-methoxyphenyl)pyridazin-1-ium-1-yl]butanoic acid bromide
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 287.31
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H17N3O3
IUPAC Name
4-[6-imino-3-(4-methoxyphenyl)pyridazin-1-yl]butanoic acid
Canonical SMILES
COC1=CC=C(C=C1)C2=NN(C(=N)C=C2)CCCC(=O)O
InChI
InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)
InChIKey
ACVGNKYJVGNLIL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
107896
ChEBI ID
CHEBI:34968
CAS Number
105538-73-6
TTD ID
D0L1BW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 GABA receptors inhibited by benzodiazepines mediate fast inhibitory transmission in the central amygdala. J Neurosci. 1999 Nov 15;19(22):9698-704.