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]
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
CHEMBL16382
CAS Number
20461-54-5
UNII
09G4I6V86Q
DrugBank ID
DB12754
TTD ID
D08RKK
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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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Pendrin (SLC26A4) OTXUTLVS S26A4_HUMAN Regulation of Drug Effects [2]
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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
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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.