Details of the Drug

General Information of Drug (ID: DMAYUV6)

Drug Name

Toluene-1-diazonium-3-sulfonic acid anion

Synonyms

m-azobenzenesulfonate; m-azobenzenesulphonate; meta-azobenzenesulfonate; m-diazoniobenzenesulfonate; 3-diazoniobenzenesulfonate; 1-benzenediazonium-3-sulfonate; m-sulfanilic acid diazonium salt; CHEBI:64458

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

184.17

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C6H4N2O3S
IUPAC Name: 3-diazoniobenzenesulfonate
Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+]#N
InChI: InChI=1S/C6H4N2O3S/c7-8-5-2-1-3-6(4-5)12(9,10)11/h1-4H
InChIKey: MQAGWJGGLKPBSC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 13948283
ChEBI ID: CHEBI:64458
CAS Number: 618-06-4
TTD ID: D0Y6MY

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	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Aryl diazo compounds and diazonium salts as potential irreversible probes of the gamma-aminobutyric acid receptor. J Med Chem. 1987 Dec;30(12):2222-7.