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Compound Detail

CHEMBL276727

IODOACETAMIDE
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Basic Information

ChEMBL ID CHEMBL276727
Name IODOACETAMIDE
Phase Preclinical
Structure Type MOL
InChI Key PGLTVOMIXTUURA-UHFFFAOYSA-N
1
Targets
3
Activities
3
Assay Types
2
PK Parameters
20
Publications
0
Known Names

Molecular Properties

185.0
MW (Da)
-0.09
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C2H4INO
MW 184.96
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness -0.43

Activity Summary

EC50 1 meas.
IC50 1 meas. best 7.48
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.48 7.48 33.3 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 6.2 hr Rattus norvegicus
T1/2 2.4 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 33.3 nM 7.48 Inhibition of wild type HIV YU2 gp120 to CD4 binding 17803292

Literature References

PubMed DOI Target Context # Activities
6644748 10.1021/jm00366a026 Unchecked 2
17237762 10.1038/nature05544 Transient receptor potential cation channel subfamily A member 1 2
6279845 10.1021/jm00346a010 Rattus norvegicus 2
27517808 10.1016/j.ejmech.2016.07.073 Cysteine protease ATG4B 2
- 10.1584/jpestics.23.113 Lycopene beta-cyclase 1
37453329 10.1016/j.ejmech.2023.115632 Caspase-2 1
38287228 10.1021/acs.jmedchem.3c01989 Prostaglandin E synthase 2 1
38086467 10.1016/j.bmcl.2023.129588 Unchecked 1
38086467 10.1016/j.bmcl.2023.129588 ADMET 1
32502864 10.1016/j.ejmech.2020.112442 Unchecked 1
32502864 10.1016/j.ejmech.2020.112442 Coagulation factor XIII A chain 1
36518699 10.1021/acsmedchemlett.2c00450 14 kDa phosphohistidine phosphatase 1
27996267 10.1021/acs.jmedchem.6b00788 No relevant target 1
17417631 10.1038/nchembio873 Unchecked 1
17803292 10.1021/jm070564e Unchecked 1
6408258 10.1021/jm00361a016 Thymidylate synthase 1
2939242 10.1021/jm00155a005 No relevant target 1
2939242 10.1021/jm00155a005 Alcohol dehydrogenase 1
1619617 10.1021/jm00091a009 Unchecked 1
6279845 10.1021/jm00346a010 Adenylate kinase 2, mitochondrial 1

Data from ChEMBL 36 via Core Engine