Compound Detail

CHEMBL12131

CLOSANTEL

🧪 Phase II

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🧪 Phase II

Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL12131
Name	CLOSANTEL
Phase	Phase II
Structure Type	MOL
InChI Key	JMPFSEBWVLAJKM-UHFFFAOYSA-N

Known Names

Closantel NSC-335306 R 31,520 R-31520

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

663.1

MW (Da)

7.12

ALogP

HBA

HBD

73.1

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

USAN Stem	-antel
USAN Year	1976

Extended Properties

Molecular Formula	C22H14Cl2I2N2O2
MW	663.08
Aromatic Rings	3
Heavy Atoms	30
NP-Likeness	-1.38

Activity Summary

IC50 42 meas. best 7.36

EC50 6 meas. best 7.09

Ki 6 meas. best 7.27

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.36	6.3891	43.8	11
Adenosine receptor A3 CHEMBL256	Ki	7.27	7.27	54.0	1
Thromboxane-A synthase CHEMBL1835	IC50	7.19	7.19	64.0	1
Streptokinase A CHEMBL1293228	EC50	7.09	7.09	82.0	1
Streptococcus CHEMBL612313	EC50	7.04	7.04	92.0	1
Adenosine receptor A3 CHEMBL256	IC50	7.02	7.02	96.0	1
Streptococcus sp. 'group A' CHEMBL612389	EC50	6.94	6.94	114.0	1
Staphylococcus aureus CHEMBL352	EC50	6.33	6.33	470.0	2
Chitinase CHEMBL1795119	Ki	6.33	6.33	468.0	2
Epidermal growth factor receptor CHEMBL203	IC50	6.25	6.25	564.0	1
Mitogen-activated protein kinase 14 CHEMBL260	IC50	6.18	6.18	656.0	1
Alpha-2B adrenergic receptor CHEMBL1942	Ki	6.08	6.08	821.9	1
Tyrosine-protein kinase Fyn CHEMBL1841	IC50	6.03	6.03	939.0	1
Alpha-2C adrenergic receptor CHEMBL1916	Ki	6.0	6.0	1000.0	1
Enterococcus faecium CHEMBL357	EC50	5.92	5.92	1200.0	1
Tyrosine-protein kinase Lck CHEMBL258	IC50	5.9	5.9	1249.0	1
Mitogen-activated protein kinase 1 CHEMBL4040	IC50	5.84	5.84	1428.0	1
GroEL/GroES CHEMBL4106139	IC50	5.82	5.71	1500.0	4
Chitinase CHEMBL1795119	IC50	5.8	5.8	1600.0	2
Alpha-2B adrenergic receptor CHEMBL1942	IC50	5.75	5.75	1800.0	1
Prostaglandin G/H synthase 2 CHEMBL230	IC50	5.74	5.74	1839.0	1
Cytochrome P450 2C9 CHEMBL3397	IC50	5.7	5.7	2000.0	1
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	IC50	5.61	5.61	2468.0	1
HSP60/HSP10 CHEMBL4106131	IC50	5.6	5.575	2500.0	2
NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183	IC50	5.57	5.57	2700.0	1
Acetylcholinesterase CHEMBL220	IC50	5.53	5.53	2951.0	1
Solute carrier family 22 member 1 CHEMBL5685	IC50	5.52	5.52	3000.0	1
Sodium-dependent dopamine transporter CHEMBL238	Ki	5.42	5.42	3800.0	1
KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) CHEMBL2111331	IC50	5.42	5.42	3800.0	1
Sodium-dependent dopamine transporter CHEMBL238	IC50	5.32	5.32	4800.0	1
Cytochrome P450 3A4 CHEMBL340	IC50	5.3	5.3	5000.0	1
Alpha-2C adrenergic receptor CHEMBL1916	IC50	5.15	5.15	7100.0	1
Long-chain-fatty-acid--AMP ligase FadD32 CHEMBL4295665	IC50	5.11	5.11	7700.0	1
Cyclin-dependent kinase 2 CHEMBL301	IC50	5.0	5.0	10000.0	1
Hexokinase CHEMBL1741201	IC50	4.6	4.6	25000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	43.8	nM	7.36	PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c...	-
Unchecked	IC50	=	46.0	nM	7.34	PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Adenosine receptor A3	Ki	=	54.0	nM	7.27	DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)	-
Thromboxane-A synthase	IC50	=	64.0	nM	7.19	DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)	-
Unchecked	IC50	=	69.0	nM	7.16	PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Streptokinase A	EC50	=	82.0	nM	7.09	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptococcus	EC50	=	92.0	nM	7.04	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify...	-
Adenosine receptor A3	IC50	=	96.0	nM	7.02	DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)	-
Unchecked	IC50	=	97.75	nM	7.01	PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c...	-
Unchecked	IC50	=	116.0	nM	6.94	PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ...	-
Streptococcus sp. 'group A'	EC50	=	114.0	nM	6.94	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Unchecked	IC50	=	125.5	nM	6.9	PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Unchecked	IC50	=	197.1	nM	6.71	PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf...	-
Staphylococcus aureus	EC50	=	470.0	nM	6.33	Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ...	30392371
Staphylococcus aureus	EC50	=	470.0	nM	6.33	Antibacterial activity against Staphylococcus aureus ATCC 25923 after 6 to 8 hrs...	30392371
Chitinase	Ki	=	470.0	nM	6.33	Competitive inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-...	24918716
Chitinase	Ki	=	468.0	nM	6.33	Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl...	21534605
Epidermal growth factor receptor	IC50	=	564.0	nM	6.25	DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: ...	-
Mitogen-activated protein kinase 14	IC50	=	656.0	nM	6.18	DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substra...	-
Alpha-2B adrenergic receptor	Ki	=	821.9	nM	6.08	DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscin...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5724801	HEK-293T	320
-	10.6019/CHEMBL5724801	U2OS	320
-	10.6019/CHEMBL5724801	Fibroblast	320
-	10.6019/CHEMBL3885881	Rattus norvegicus	295
-	10.6019/CHEMBL5303304	HEK-293T	10
-	10.6019/CHEMBL5303304	U2OS	7
24918716	10.1021/jm5006435	Caenorhabditis elegans	7
30852084	10.1016/j.bmcl.2019.02.028	GroEL/GroES	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
9685233	10.1021/jm9803572	Enterococcus faecalis	3
36701569	10.1021/acs.jmedchem.2c01731	Cyclin-dependent kinase 2	3
24918716	10.1021/jm5006435	Chitinase	2
30392371	10.1021/acs.jmedchem.8b01293	Staphylococcus aureus	2
30392371	10.1021/acs.jmedchem.8b01293	Unchecked	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
24918716	10.1021/jm5006435	HEK-293T	2
21534605	10.1021/jm200364n	Onchocerca ochengi	2
21534605	10.1021/jm200364n	Onchocerca volvulus	2
21534605	10.1021/jm200364n	Chitinase	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2

Data from ChEMBL 36 via Core Engine