General Information of the Compound
Compound ID
CP0075432
Compound Name
5,7-DIIODO-8-HYDROXYQUINOLINE
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Synonyms
5,7-Diiodo-8-hydroxyquinoline
5,7-Diiodo-8-quinolinol
5,7-Diiodo-oxine
5,7-diiodoquinolin-8-ol
8-Quinolinol, 5,7-diiodo-
83-73-8
DIIODOHYDROXYQUIN
Di-quinol
Diamoebin
Diiodohydroxyquinoline
Diiodoquin
Dijodoxichinoline
Dijodoxichinolinum
Dinoleine
Diodohydroxyquin
Diodoquin
Diodoquine
Diodoxylin
Direxiode
Disoquin
Dyodin
Embequin
Enterodiamoebin
Enterosept
Floraquin
Fluoraquin
Iodoquinol
Ioquin
Ioquin suspension
Lanodoxin
Moebiquin
Quinadome
Rafamebin
Searlequin
Sebaquin
Stanquinate
Yodoxin
Zoaquin
iodoquinol
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Structure
Formula
C9H5I2NO
Molecular Weight
396.953
Canonical SMILES
Oc1c(I)cc(I)c2cccnc12
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InChI
InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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InChIKey
UXZFQZANDVDGMM-UHFFFAOYSA-N
CAS
83-73-8
Physicochemical Property
logP
3.1496
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3728
SID: 15499605
ChEMBL ID
CHEMBL86754
DrugBank ID
DB09115
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 29855.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 3662.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06124, Paired box protein Pax-8
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I
 Cell Line Info 
Homo sapiens (Human)  1
1
AC50 = 4870 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Iodoquinol )
Drug Name Iodoquinol
Indication
Amoebiasis
Approved