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Compound Detail

CHEMBL365739

DIPHENYLENEIODONIUM
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c1ccc2c(c1)[I+]c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365739
Name DIPHENYLENEIODONIUM
Phase Preclinical
Structure Type MOL
InChI Key QFXKXRXFBRLLPQ-UHFFFAOYSA-N
7
Targets
30
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

279.1
MW (Da)
-0.20
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H8I+
MW 279.10
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.10

Activity Summary

IC50 28 meas. best 6.52
EC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 7.96 7.82 11.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.52 6.054 300.0 10
Unchecked
CHEMBL612545
 IC50 6.52 5.9775 300.0 4
BV-2
CHEMBL614781
 IC50 6.4 5.695 400.0 2
Homo sapiens
CHEMBL372
 IC50 6.34 6.34 460.0 1
Neutrophil
CHEMBL613710
 IC50 6.1 6.0225 800.0 4
Neutrophil
CHEMBL5314326
 IC50 6.0 6.0 1000.0 1
Mycolicibacterium smegmatis
CHEMBL613088
 IC50 5.79 5.3433 1630.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 11.0 nM 7.96 Antiproliferative activity against mouse neural precursor cells by MTT assay 17417631
NON-PROTEIN TARGET EC50 = 20.9 nM 7.68 Antiproliferative activity against mouse astrocyte cells by MTT assay 17417631
Unchecked IC50 = 300.0 nM 6.52 Inhibition of NOX in fMLP-induced PMN cells assessed as NO production 21115251
NON-PROTEIN TARGET IC50 = 300.0 nM 6.52 Antiinflammatory activity in human PMNC cells assessed as inhibition of fMLP-ind... 21028898
Unchecked IC50 = 400.0 nM 6.4 Inhibition of mouse NOX activity in NADPH-induced mouse BV2 microglial cells ass... 21115251
BV-2 IC50 = 400.0 nM 6.4 Antiinflammatory activity in mouse BV2 cells assessed as inhibition of NOX-depen... 21028898
Homo sapiens IC50 = 460.0 nM 6.34 Inhibitory concentration against superoxide anion (O2-) generation in human neut... 15878278
NON-PROTEIN TARGET IC50 = 520.0 nM 6.28 Antiinflammatory activity in human neutrophils assessed as inhibition of fMet-Le... 18163582
Unchecked IC50 = 650.0 nM 6.19 Inhibition of NOX-dependent ROS production in mouse BV2 cells by chemiluminescen... 22115618
NON-PROTEIN TARGET IC50 = 700.0 nM 6.16 Antiinflammatory activity in fMLP/cytochalasin B-stimulated human neutrophils as... 19110343
NON-PROTEIN TARGET IC50 = 700.0 nM 6.16 Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/cy... 20036537
Neutrophil IC50 = 800.0 nM 6.1 Inhibition of FMLP/CB-stimulated superoxide production in human neutrophils prei... 25036668
NON-PROTEIN TARGET IC50 = 860.0 nM 6.07 Antiinflammatory activity in neutrophils assessed as inhibition of oxygen radica... 17197180
NON-PROTEIN TARGET IC50 = 930.0 nM 6.03 Antiinflammatory activity in FMLP/CB activated human neutrophils assessed as inh... 23347584
Neutrophil IC50 = 969.7 nM 6.01 Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP-in... 20417587
NON-PROTEIN TARGET IC50 = 1000.0 nM 6.0 Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/cy... 19583252
Neutrophil IC50 = 1000.0 nM 6.0 Inhibition of fMLF/CB-induced human Neutrophil activation assessed as reduction ... 37683361
Neutrophil IC50 = 1020.0 nM 5.99 Inhibition of FMLP/CB-stimulated superoxide anion generation in human neutrophil... 21441032
Neutrophil IC50 = 1020.0 nM 5.99 Inhibition of fMLP/CB-stimulated superoxide anion generation in human neutrophil... 21417387
Mycolicibacterium smegmatis IC50 = 1630.0 nM 5.79 Antimycobacterial activity against Mycobacterium smegmatis grown in nitrogen -li... 19786608

Literature References

PubMed DOI Target Context # Activities
19786608 10.1128/aac.00803-09 Mycolicibacterium smegmatis 12
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
18161942 10.1021/np070383f Unchecked 3
17046255 10.1016/j.bmcl.2006.09.046 BV-2 2
21028898 10.1021/np1002143 BV-2 2
21115251 10.1016/j.bmc.2010.10.032 Unchecked 2
21441032 10.1016/j.bmc.2011.02.038 Neutrophil 2
17417631 10.1038/nchembio873 NON-PROTEIN TARGET 2
20417587 10.1016/j.ejmech.2010.03.046 Neutrophil 2
21417387 10.1021/np100851s Neutrophil 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
19110343 10.1016/j.ejmech.2008.11.008 NON-PROTEIN TARGET 1
19203247 10.1021/np8006364 NON-PROTEIN TARGET 1
19128011 10.1021/np800689b NON-PROTEIN TARGET 1
19583252 10.1021/np900148a NON-PROTEIN TARGET 1
37683361 10.1016/j.ejmech.2023.115791 Neutrophil 1
18817445 10.1021/np8004503 NON-PROTEIN TARGET 1
18163582 10.1021/np0704349 NON-PROTEIN TARGET 1
17197180 10.1016/j.bmcl.2006.12.038 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine