Compound Detail

CHEMBL86754

IODOQUINOL

🧪 Phase II

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🧪 Phase II

Oc1c(I)cc(I)c2cccnc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL86754
Name	IODOQUINOL
Phase	Phase II
Structure Type	MOL
InChI Key	UXZFQZANDVDGMM-UHFFFAOYSA-N

Known Names

Diiodohidroxiquinoleina Diiodohydroxyquin Diiodohydroxyquinoleine Diiodohydroxyquinoline Diodoquin Enterodiamoebine Iodoquinol Ioquin Lanodoxin NSC-8704 Quinadome Searlequin +3 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

396.9

MW (Da)

3.15

ALogP

HBA

HBD

33.1

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem	io-
USAN Year	1980

Extended Properties

Molecular Formula	C9H5I2NO
MW	396.95
Aromatic Rings	2
Heavy Atoms	13
NP-Likeness	-0.32

ATC Classification

G01AC01

diiodohydroxyquinoline

Level 1: GENITO URINARY SYSTEM AND SEX HORMONES

Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS

Activity Summary

IC50 20 meas. best 8.44

EC50 3 meas. best 6.34

Ki 1 meas. best 6.28

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.44	7.2588	3.6	8
Mitogen-activated protein kinase 1 CHEMBL4040	IC50	6.53	6.53	294.0	1
Mitogen-activated protein kinase 14 CHEMBL260	IC50	6.44	6.44	364.0	1
Onchocerca gutturosa CHEMBL613143	EC50	6.34	6.34	460.0	1
Adenosine receptor A3 CHEMBL256	Ki	6.28	6.28	527.0	1
Angiotensin-converting enzyme CHEMBL4074	IC50	6.04	6.04	906.0	1
Adenosine receptor A3 CHEMBL256	IC50	6.03	6.03	933.0	1
Tyrosine-protein kinase Fyn CHEMBL1841	IC50	5.8	5.8	1571.0	1
Epidermal growth factor receptor CHEMBL203	IC50	5.72	5.72	1889.0	1
Trypanosoma brucei brucei CHEMBL612851	IC50	5.7	5.7	2000.0	1
Tyrosine-protein kinase Lck CHEMBL258	IC50	5.61	5.61	2461.0	1
Metallo-beta-lactamase type 2 CHEMBL5465386	IC50	5.6	5.6	2500.0	1
Mitogen-activated protein kinase 3 CHEMBL3385	IC50	5.28	5.28	5264.0	1
Catechol O-methyltransferase CHEMBL2372	IC50	5.25	5.25	5623.4	1
Unchecked CHEMBL612545	EC50	5.13	4.95	7360.0	2
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	IC50	5.07	5.07	8577.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	3.6	nM	8.44	PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Unchecked	IC50	=	17.8	nM	7.75	PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Unchecked	IC50	=	21.3	nM	7.67	PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ...	-
Unchecked	IC50	=	22.7	nM	7.64	PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf...	-
Unchecked	IC50	=	38.7	nM	7.41	PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c...	-
Unchecked	IC50	=	40.97	nM	7.39	PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c...	-
Mitogen-activated protein kinase 1	IC50	=	294.0	nM	6.53	DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: ...	-
Mitogen-activated protein kinase 14	IC50	=	364.0	nM	6.44	DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substra...	-
Onchocerca gutturosa	EC50	=	460.0	nM	6.34	AntiOnchocerca activity O. gutturosa adult males: EC50 (uM)	-
Adenosine receptor A3	Ki	=	527.0	nM	6.28	DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)	-
Unchecked	IC50	=	704.7	nM	6.15	PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Angiotensin-converting enzyme	IC50	=	906.0	nM	6.04	DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrat...	-
Adenosine receptor A3	IC50	=	933.0	nM	6.03	DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)	-
Tyrosine-protein kinase Fyn	IC50	=	1571.0	nM	5.8	DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:...	-
Epidermal growth factor receptor	IC50	=	1889.0	nM	5.72	DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: ...	-
Trypanosoma brucei brucei	IC50	=	2000.0	nM	5.7	Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form...	30647879
Unchecked	IC50	=	2393.5	nM	5.62	PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de...	-
Tyrosine-protein kinase Lck	IC50	=	2461.0	nM	5.61	DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:...	-
Metallo-beta-lactamase type 2	IC50	=	2500.0	nM	5.6	Inhibition of C-terminal 6His-tagged full length NDM-1 (unknown origin) expresse...	37585683
Mitogen-activated protein kinase 3	IC50	=	5264.0	nM	5.28	DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: ...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL3832761	Onchocerca gutturosa	3
30647879	10.1039/C8MD00319J	Trypanosoma brucei brucei	3
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M1	2
37468498	10.1038/s41467-023-40064-9	Prostaglandin G/H synthase 1	2
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	Thromboxane A2 receptor	2
-	10.6019/CHEMBL3987221	Porphobilinogen deaminase	1
30647879	10.1039/C8MD00319J	Unchecked	1
30647879	10.1039/C8MD00319J	HeLa	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
22961681	10.1124/dmd.112.047068	Bile salt export pump	1
-	10.6019/CHEMBL3832761	HepG2	1
-	10.6019/CHEMBL3832761	Onchocerca lienalis	1
817025	10.1021/jm00226a025	Catechol O-methyltransferase	1
38318365	10.1016/j.isci.2024.108907	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1

Data from ChEMBL 36 via Core Engine