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]
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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
CAS Number: 144-48-9
TTD ID: D03GXQ

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]

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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 1 (NAT1)	OTCCNQ3H	ARY1_HUMAN	Gene/Protein Processing	[4]
Arylamine N-acetyltransferase 2 (NAT2)	OTBPDQOY	ARY2_HUMAN	Gene/Protein Processing	[4]
Coagulation factor XI (F11)	OT93MUNH	FA11_HUMAN	Protein Interaction/Cellular Processes	[5]
Coagulation factor XIII A chain (F13A1)	OTO8O184	F13A_HUMAN	Gene/Protein Processing	[6]
Kelch-like ECH-associated protein 1 (KEAP1)	OTFHOD0C	KEAP1_HUMAN	Gene/Protein Processing	[7]
Nuclear factor erythroid 2-related factor 2 (NFE2L2)	OT0HENJ5	NF2L2_HUMAN	Gene/Protein Processing	[7]

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Molecular Interaction Atlas (MIA)

MIA Detail

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	Isolation and functional characterization of the active light chain of activated human blood coagulation factor XI. J Biol Chem. 1983 Aug 25;258(16):9669-75.
6	Molecular mechanisms underlying the proangiogenic effect of factor XIII. Arterioscler Thromb Vasc Biol. 2005 Mar;25(3):526-32. doi: 10.1161/01.ATV.0000154137.21230.80. Epub 2004 Dec 23.
7	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.