Details of the Drug

General Information of Drug (ID: DM3FZ6P)

Drug Name

IODIDE

Synonyms

Iodide ion; 20461-54-5; Iodide-127; Iodide(1-); iodinane; trihydridoiodine; iodine anion; Iodide anion; Iodide Salt; lambda(3)-iodane; UNII-09G4I6V86Q; I-; CHEMBL185537; CHEBI:16382; 09G4I6V86Q; Colloidal iodine; Iodine ion; Iodide ion(1-); Iodine(1-); Iodine, ion (I1-); AC1L1IXU; hydriodic acid, ion(1-); CTK1A4386; CHEBI:37181; BDBM26981; XMBWDFGMSWQBCA-UHFFFAOYSA-M; Iodide (6CI,7CI,8CI,9CI); Ba 2796; DB12754; LS-193152

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)

126.904

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: I-
IUPAC Name: iodide
Canonical SMILES: [I-]
InChI: InChI=1S/HI/h1H/p-1
InChIKey: XMBWDFGMSWQBCA-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 30165
ChEBI ID: CHEBI:16382
CAS Number: 20461-54-5
DrugBank ID: DB12754
TTD ID: D08RKK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Pendrin (SLC26A4)	OTXUTLVS	S26A4_HUMAN	Regulation of Drug Effects	[2]
Sodium/iodide cotransporter (SLC5A5)	OTU7E9G7	SC5A5_HUMAN	Regulation of Drug Effects	[3]
Thyroid peroxidase (TPO)	OTJJLL20	PERT_HUMAN	Biotransformations	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5435-9.
2	Identification of allelic variants of pendrin (SLC26A4) with loss and gain of function. Cell Physiol Biochem. 2011;28(3):467-76. doi: 10.1159/000335108. Epub 2011 Nov 18.
3	Visualization of endogenous p53-mediated transcription in vivo using sodium iodide symporter. Clin Cancer Res. 2005 Jan 1;11(1):123-8.
4	Arsenic trioxide and reduced glutathione act synergistically to augment inhibition of thyroid peroxidase activity in vitro. Biol Trace Elem Res. 2015 May;165(1):110-7. doi: 10.1007/s12011-015-0230-x. Epub 2015 Jan 17.