Details of the Drug

General Information of Drug (ID: DMB75PV)

Drug Name
diphenyleneiodonium chloride
Synonyms
Diphenyleneiodonium chloride; 4673-26-1; Dibenziodolium chloride; UNII-7M9D81YZ2N; DPI; 7M9D81YZ2N; CHEBI:77967; CHEMBL397686; SR-01000075494; Dibenziodolium, chloride; AC1MBZ20; C12H8I.Cl; dibenzo[b,d]iodolium chloride; SCHEMBL159318; GTPL7802; CTK8F9249; DTXSID00196932; MolPort-003-983-758; MolPort-023-275-892; HMS3266G10; HMS3261I15; 2,2'-biphenylyleneiodonium chloride; Diphenyleneiodonium chloride, 97+%; BCP08692; Tox21_500367; Diphenyleneiodonium chloride, > MFCD00214165; 1726AH; AKOS015903219; LP00367; CCG-221671
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 314.55
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Chemical Identifiers
Formula
C12H8ClI
IUPAC Name
8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;chloride
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2.[Cl-]
InChI
InChI=1S/C12H8I.ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H/q+1;/p-1
InChIKey
FCFZKAVCDNTYID-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
2733504
ChEBI ID
CHEMBL77967
CAS Number
4673-26-1
TTD ID
D0N0GJ
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
G protein-coupled receptor 3 (GPR3) TTHZVSK GPR3_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7802).
2 Identification of a novel small-molecule agonist for human G protein-coupled receptor 3. J Pharmacol Exp Ther. 2014 Jun;349(3):437-43.