Details of the Drug

General Information of Drug (ID: DM80OEZ)

Drug Name
Iobenguane I-123
Synonyms
Iobenguane (123I); UNII-P2TH1XYZ84; m-Iodobenzylguanidine-123I; P2TH1XYZ84; Adreview; Iobenguane I 123; 123I-MIBG; 2-[(3-iodanylphenyl)methyl]guanidine; 76924-93-1; Iodine-123 metaiodobenzylguanidine; m-(123I)Iodobenzylguanidine; Iobenguane I 123 [USAN]; MyoMIBG-I 123 (TN); (123I)-m-Iodobenzylguanidine; AC1L367T; AC1Q50E3; CHEMBL1615777; SCHEMBL13158600; (123)I-MIBG; CHEBI:135134; 123 iodine metaiodobenzylguanidine; MOLI000966; 3-Iodobenzylguanidine (123I) (JAN); Guanidine, ((3-iodo(123I)phenyl)methyl)-; D01729
Indication
Disease Entry ICD 11 Status REF
Neuroendocrine cancer 2B72.1 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 271.09
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C8H10IN3
IUPAC Name
2-[(3-(123I)iodanylphenyl)methyl]guanidine
Canonical SMILES
C1=CC(=CC(=C1)[123I])CN=C(N)N
InChI
InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9-4
InChIKey
PDWUPXJEEYOOTR-IUAIQHPESA-N
Cross-matching ID
PubChem CID
135326
ChEBI ID
CHEBI:135134
CAS Number
76924-93-1
TTD ID
D02JIS
VARIDT ID
DR01096

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Neuroendocrine cancer
ICD Disease Classification 2B72.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Norepinephrine transporter (NET) DTT SLC6A2 7.05E-01 7.02E-03 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
2 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. (Target id: 926).