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]
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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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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: CHEBI:77967
CAS Number: 4673-26-1
TTD ID: D0N0GJ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.