Details of the Drug

General Information of Drug (ID: DMXYFMB)

Drug Name
IODOSULPIRIDE
Synonyms CHEMBL307023; BDBM50040082; N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2-methoxy-5-sulfamoyl-benzamide(iodosulpiride); N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2-iodo-6-methoxy-3-sulfamoyl-benzamide (iodosulpride)
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) 467.3
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H22IN3O4S
IUPAC Name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-iodo-6-methoxy-3-sulfamoylbenzamide
Canonical SMILES
CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2I)S(=O)(=O)N)OC
InChI
InChI=1S/C15H22IN3O4S/c1-3-19-8-4-5-10(19)9-18-15(20)13-11(23-2)6-7-12(14(13)16)24(17,21)22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,20)(H2,17,21,22)/t10-/m0/s1
InChIKey
HCKMONAVUWHQOT-JTQLQIEISA-N
Cross-matching ID
PubChem CID
44312731
TTD ID
D0C6KQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Fluorinated and iodinated dopamine agents: D2 imaging agents for PET and SPECT. J Med Chem. 1993 Jan 22;36(2):221-8.