Details of the Drug

General Information of Drug (ID: DMM4XVL)

Drug Name
Iodoacetamide
Synonyms
iodoacetamide; 2-Iodoacetamide; 144-48-9; Monoiodoacetamide; Surauto; ACETAMIDE, 2-IODO-; 2-Iodo-acetamide; USAF D-1; alpha-Iodoacetamide; CCRIS 7710; C2H4INO; UNII-ZRH8M27S79; N-(3-Methoxy-4-butoxybenzyl)thiobarbituric acid; .alpha.-Iodoacetamide; AI3-51841; NSC 9581; EINECS 205-630-1; BRN 1739080; ZRH8M27S79; PGLTVOMIXTUURA-UHFFFAOYSA-N; MFCD00008028; Iodoacetamide, 98%; deltop; iodoacetoamide; a-iodoacetamide; iodo acetamide; 2-iodanylethanamide; sJYHCaVIKTp@; Alpha-iodo acetamide; Iodoacetamide, BioUltra; PubChem12542; ACMC-209csv
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) 184.96
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C2H4INO
IUPAC Name
2-iodoacetamide
Canonical SMILES
C(C(=O)N)I
InChI
InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
InChIKey
PGLTVOMIXTUURA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3727
ChEBI ID
CHEMBL276727
CAS Number
144-48-9
TTD ID
D03GXQ
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Creatine kinase (CK) TT9INHD KCRB_HUMAN ; KCRS_HUMAN ; KCRU_HUMAN ; KCRM_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Alpha-(1,6)-fucosyltransferase (FUT8) OTJJCVG1 FUT8_HUMAN Gene/Protein Processing [3]
Arylamine N-acetyltransferase 2 (NAT2) OTBPDQOY ARY2_HUMAN Gene/Protein Processing [4]
Kelch-like ECH-associated protein 1 (KEAP1) OTFHOD0C KEAP1_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) 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: 6271).
2 Creatine kinase inhibitor iodoacetamide antagonizes calcium-stimulated inotropy in cardiomyocytes. Clin Exp Pharmacol Physiol. 2009 Feb;36(2):141-5.
3 Chemical modifications of alpha1,6-fucosyltransferase define amino acid residues of catalytic importance. Biochimie. 2003 Mar-Apr;85(3-4):303-10. doi: 10.1016/s0300-9084(03)00074-9.
4 Cyanamide-mediated inhibition of N-acetyltransferase 1. Toxicology. 2012 Dec 8;302(1):1-10.
5 High-content imaging-based BAC-GFP toxicity pathway reporters to assess chemical adversity liabilities. Arch Toxicol. 2017 Mar;91(3):1367-1383. doi: 10.1007/s00204-016-1781-0. Epub 2016 Jun 29.