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

Topological Polar Surface Area (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]

------------------------------------------------------------------------------------

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	NMR screening applied to the fragment-based generation of inhibitors of creatine kinase exploiting a new interaction proximate to the ATP binding s... J Med Chem. 2007 Apr 19;50(8):1865-75.