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Compound Detail

CHEMBL37731

IODACYCLUR
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O=c1[nH]c(=O)n(COC(CO)CO)cc1I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL37731
Name IODACYCLUR
Phase Preclinical
Structure Type MOL
InChI Key HIEVFJRWVCVOHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

342.1
MW (Da)
-1.53
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11IN2O5
MW 342.09
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HeLa
CHEMBL399
 IC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HeLa IC50 = 30000.0 nM 4.52 Growth inhibition of human HeLa cells after 72 hrs by MTT assay 18640746

Literature References

PubMed DOI Target Context # Activities
17218105 10.1016/j.bmc.2006.12.032 Mycobacterium tuberculosis 2
17218105 10.1016/j.bmc.2006.12.032 Streptococcus pneumoniae 1
18640746 10.1016/j.ejmech.2008.06.002 NCI-H460 1
18640746 10.1016/j.ejmech.2008.06.002 MCF7 1
18640746 10.1016/j.ejmech.2008.06.002 SW-620 1
18640746 10.1016/j.ejmech.2008.06.002 MIA PaCa-2 1
18640746 10.1016/j.ejmech.2008.06.002 HeLa 1
17218105 10.1016/j.bmc.2006.12.032 Pseudomonas aeruginosa 1
17218105 10.1016/j.bmc.2006.12.032 Proteus vulgaris 1
17218105 10.1016/j.bmc.2006.12.032 Escherichia coli 1
17218105 10.1016/j.bmc.2006.12.032 Salmonella typhimurium 1
2826784 10.1021/jm00396a021 Human alphaherpesvirus 1 1
17218105 10.1016/j.bmc.2006.12.032 Bacillus subtilis 1
17218105 10.1016/j.bmc.2006.12.032 Enterococcus faecalis 1
17218105 10.1016/j.bmc.2006.12.032 Staphylococcus epidermidis 1
17218105 10.1016/j.bmc.2006.12.032 Staphylococcus aureus 1
17218105 10.1016/j.bmc.2006.12.032 Mycobacterium avium 1
2826784 10.1021/jm00396a021 Human gammaherpesvirus 4 1
2826784 10.1021/jm00396a021 Cytomegalovirus 1
2826784 10.1021/jm00396a021 Human alphaherpesvirus 3 1

Data from ChEMBL 36 via Core Engine