Molecule

Iodoacetic acid; Amide

AlkaPlorer ID: AK302617

Synonym: Iodoacetamide

IUPAC Name: 2-iodoacetamide

Structure

SMILES: NC(=O)CI

InChI: InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)

InChIKey: PGLTVOMIXTUURA-UHFFFAOYSA-N

Reference

PubChem CID: 3727

CAS: 144-48-9

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Asparagopsis taxiformis	Asparagopsis	Bonnemaisoniaceae	Bonnemaisoniales	Florideophyceae	Rhodophyta	None	Eukaryota

Properties Information

Molecule Weight: 184.964

TPSA？: 43.09

MolLogP？: -0.0932999999999998

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Equus caballus	Alcohol dehydrogenase	Ki	1905460.72	nM	10.1021/jm00155a005
Equus caballus	Ferritin light chain	Potency	39810.7	nM	None
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Potency	31547.9	nM	None
Homo sapiens	14 kDa phosphohistidine phosphatase	Inhibition	nan	%	10.1021/acsmedchemlett.2c00450
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	39810.7	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	28183.8	nM	None
Homo sapiens	Alpha-galactosidase A	Potency	22387.2	nM	None
Homo sapiens	Arachidonate 15-lipoxygenase	Potency	31622.8	nM	None
Homo sapiens	Arachidonate 15-lipoxygenase, type II	Potency	39810.7	nM	None
Homo sapiens	ATP-dependent DNA helicase Q1	Potency	631.0	nM	None
Homo sapiens	Bloom syndrome protein	Potency	631.0	nM	None
Homo sapiens	Cellular tumor antigen p53	Potency	5011.9	nM	None
Homo sapiens	Cellular tumor antigen p53	Potency	6309.6	nM	None
Homo sapiens	Cerebroside-sulfatase	Potency	8492.1	nM	None
Homo sapiens	Chromobox protein homolog 1	Potency	50118.7	nM	None
Homo sapiens	Coagulation factor XIII	K	0.8	10^4/M/s	10.1016/j.ejmech.2020.112442
Homo sapiens	Cysteine protease ATG4B	Inhibition	nan	%	10.1016/j.ejmech.2016.07.073
Homo sapiens	Cytochrome P450 1A2	AC50	31622.78	nM	None
Homo sapiens	Cytochrome P450 2C19	AC50	39810.72	nM	None
Homo sapiens	Cytochrome P450 2C19	Potency	39810.7	nM	None
Homo sapiens	Cytochrome P450 2C9	AC50	39810.72	nM	None
Homo sapiens	Cytochrome P450 2C9	Potency	39810.7	nM	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	63.1	nM	None
Homo sapiens	Cytochrome P450 3A4	Potency	63.1	nM	None
Homo sapiens	DNA polymerase beta	Potency	39810.7	nM	None
Homo sapiens	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Potency	15848.9	nM	None
Homo sapiens	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Potency	39810.7	nM	None
Homo sapiens	Geminin	Potency	28183.8	nM	None
Homo sapiens	Histone acetyltransferase GCN5	Potency	10000.0	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	631.0	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	2377.8	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	31622.8	nM	None
Homo sapiens	M-phase phosphoprotein 8	Potency	8912.5	nM	None
Homo sapiens	M-phase phosphoprotein 8	Potency	21192.3	nM	None
Homo sapiens	Peripheral myelin protein 22	Potency	84921.4	nM	None
Homo sapiens	Prelamin-A/C	Potency	5623.4	nM	None
Homo sapiens	Prelamin-A/C	Potency	35481.3	nM	None
Homo sapiens	Regulator of G-protein signaling 4	Potency	18887.6	nM	None
Homo sapiens	Thrombopoietin	Potency	3162.3	nM	None
Homo sapiens	Transient receptor potential cation channel subfamily A member 1	EC50	357000.0	nM	10.1038/nature05544
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	39810.7	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 2	Potency	25118.9	nM	None
Homo sapiens	Vitamin D receptor	Potency	79432.8	nM	None
Lactobacillus casei	Thymidylate synthase	k2	7.0	M-1	10.1021/jm00361a016
Mus musculus	Transient receptor potential cation channel subfamily A member 1	Activity	nan	None	10.1038/nature05544
Pantoea ananas	Lycopene cyclase	Activity	87.0	%	10.1584/jpestics.23.113
Rattus norvegicus	Adenylate kinase 2	Loss of inactivation	0.0	%	10.1021/jm00346a010
Rattus norvegicus	Muscarinic acetylcholine receptor M1	Potency	3162.3	nM	None
Rattus norvegicus	Rattus norvegicus	T1/2	2.4	hr	10.1021/jm00346a010
Rattus norvegicus	Rattus norvegicus	T1/2	6.2	hr	10.1021/jm00346a010
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	7943.3	nM	None
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	21192.3	nM	None
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	39810.7	nM	None
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Potency	8199.5	nM	None
Trypanosoma brucei	6-phospho-1-fructokinase	Potency	19011.5	nM	None
None	No relevant target	K	25.0	/M/s	10.1021/acs.jmedchem.6b00788
None	No relevant target	LogP	0.15	None	10.1021/jm00155a005
None	Unchecked	IC50	33.3	nM	10.1021/jm070564e
None	Unchecked	Inhibition	99.0	%	10.1021/jm00366a026
None	Unchecked	Inhibition	nan	%	10.1038/nchembio873
None	Unchecked	Ki	nan	nM	10.1021/jm00091a009
None	Unchecked	Potency	6309.6	nM	None
None	Unchecked	Potency	15848.9	nM	None
None	Unchecked	Ratio	5.0	10^3No_unit	10.1016/j.ejmech.2020.112442