Compound Detail

CHEMBL48449

CANTHARIDIN

💊 Approved Drug

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💊 Approved Drug

C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL48449
Name	CANTHARIDIN
Phase	Approved
Structure Type	MOL
InChI Key	DHZBEENLJMYSHQ-XCVPVQRUSA-N
Therapeutic	✓ Yes

Known Names

Cantaridina Cantharides camphor Cantharidin Cantharidine Cantharidinum NSC-61805 Ycanth

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

196.2

MW (Da)

0.64

ALogP

HBA

HBD

52.6

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2023
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Topical

Flags

Natural Product

USAN Year

2019

Extended Properties

Molecular Formula	C10H12O4
MW	196.20
Aromatic Rings	0
Heavy Atoms	14
NP-Likeness	1.88

Indications

Molluscum Contagiosum Arthritis, Rheumatoid Inflammation

Activity Summary

IC50 60 meas. best 7.4

Ki 2 meas. best 7.19

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.4	6.207	40.0	20
Unchecked CHEMBL612545	Ki	7.19	6.08	65.0	2
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform CHEMBL4703	IC50	6.8	6.8	160.0	1
Serine-threonine protein phosphatase 2A regulatory subunit CHEMBL2669	IC50	6.7	6.414	200.0	5
Serine/threonine-protein phosphatase 5 CHEMBL3425389	IC50	6.4	6.28	400.0	3
Protein phosphatase 1B CHEMBL2845	IC50	6.37	6.06	430.0	2
Tissue factor pathway inhibitor 2 CHEMBL6066240	IC50	6.3	6.3	500.0	1
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit CHEMBL4438	IC50	5.75	5.75	1780.0	1
Lung cancer cell line CHEMBL614790	IC50	5.7	5.7	2000.0	1
Homo sapiens CHEMBL372	IC50	5.7	5.7	2000.0	1
Colon cancer cell line CHEMBL612260	IC50	5.7	5.7	2000.0	1
Plasmodium falciparum CHEMBL364	IC50	5.6	5.3667	2511.9	9
HL-60 CHEMBL383	IC50	5.57	5.57	2700.0	1
KB 3-1 CHEMBL614590	IC50	5.57	5.57	2700.0	1
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	5.44	5.44	3600.0	1
HT-29 CHEMBL384	IC50	5.19	5.19	6400.0	2
HCT-116 CHEMBL394	IC50	5.05	5.05	9000.0	2
A2780 CHEMBL614004	IC50	5.0	5.0	10000.0	1
143B CHEMBL614508	IC50	5.0	5.0	10000.0	1
RAW264.7 CHEMBL612557	IC50	4.99	4.99	10250.0	1
ADDP cell line CHEMBL614264	IC50	4.96	4.96	11000.0	1
HepG2 CHEMBL395	IC50	4.96	4.84	11000.0	2
Hepatocyte CHEMBL613362	IC50	4.68	4.68	21000.0	1
SK-HEP1 CHEMBL614912	IC50	4.47	4.47	34000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	40.0	nM	7.4	Inhibition of bovine brain PP2A assessed as dephosphorylation of substrate using...	33454654
Unchecked	IC50	=	50.0	nM	7.3	Inhibition of PP4 (unknown origin) phosphatase domain using phosphohistone as su...	37054560
Unchecked	IC50	=	50.0	nM	7.3	Inhibition of porcine PP4 using [33P]-labelled substrate	34156850
Unchecked	Ki	=	65.0	nM	7.19	Compound was tested for inhibition of protein phosphatase 2A (PP2A)	-
Unchecked	IC50	=	160.0	nM	6.8	Inhibitory concentration against PP1 was determined	11814804
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	IC50	=	160.0	nM	6.8	Inhibition of PP2A (unknown origin)	34156850
Unchecked	IC50	=	160.0	nM	6.8	Inhibition of PP2A (unknown origin) phosphatase domain	37054560
Unchecked	IC50	=	160.0	nM	6.8	Inhibition of PP2A (unknown origin)	39136241
Serine-threonine protein phosphatase 2A regulatory subunit	IC50	=	200.0	nM	6.7	Exogenous inhibition concentration of Serine/threonine protein phosphatase 2A (P...	11881984
Unchecked	IC50	=	200.0	nM	6.7	Inhibition of human PP2A expressed in Escherichia coli BL21	20888768
Serine-threonine protein phosphatase 2A regulatory subunit	IC50	=	260.0	nM	6.58	Inhibitory activity against partially purified (chicken skeletal muscle) Protein...	10937725
Serine-threonine protein phosphatase 2A regulatory subunit	IC50	=	260.0	nM	6.58	Inhibition of Serine/threonine protein phosphatase 2A by anhydride modified Cant...	11881984
Serine-threonine protein phosphatase 2A regulatory subunit	IC50	=	360.0	nM	6.44	Inhibitory concentration against protein phosphatase 2A was determined	11677131
Serine/threonine-protein phosphatase 5	IC50	=	400.0	nM	6.4	Inhibition of human PP5 using [3H]-phosphohistone as substrate	34156850
Protein phosphatase 1B	IC50	=	430.0	nM	6.37	Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle	15050639
Unchecked	IC50	=	470.0	nM	6.33	Inhibition of PP1 (unknown origin)	33454654
Tissue factor pathway inhibitor 2	IC50	=	500.0	nM	6.3	Inhibition of PP5 (unknown origin)	39136241
Unchecked	IC50	=	500.0	nM	6.3	Exogenous inhibition of Serine/threonine protein phosphatase 1 (PP1)	11881984
Serine/threonine-protein phosphatase 5	IC50	=	600.0	nM	6.22	Inhibition of PP5 (unknown origin)	34156850
Unchecked	IC50	=	600.0	nM	6.22	Inhibitory activity against protein phosphatase 2A from human red blood cells	15050639

Literature References

PubMed	DOI	Target Context	# Activities
11881984	10.1021/jm010066k	Unchecked	7
19734910	10.1038/nchembio.215	Plasmodium falciparum	7
-	10.6019/CHEMBL4495565	SARS-CoV-2	6
37054560	10.1016/j.ejmech.2023.115350	Unchecked	5
33454654	10.1016/j.bmc.2021.116012	Unchecked	5
17870547	10.1016/j.bmc.2007.08.028	Unchecked	5
18024584	10.1073/pnas.0709695104	H4	4
34156850	10.1021/acs.jmedchem.1c00631	Unchecked	3
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	3
38092072	10.1016/j.bmcl.2023.129590	ADMET	3
11677131	10.1016/s0960-894x(01)00594-7	Serine-threonine protein phosphatase 2A regulatory subunit	2
20888768	10.1016/j.bmcl.2010.09.004	Unchecked	2
-	10.1016/S0960-894X(97)10005-1	Unchecked	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
20153915	10.1016/j.ejmech.2010.01.004	NON-PROTEIN TARGET	2
20153915	10.1016/j.ejmech.2010.01.004	Unchecked	2
17606377	10.1016/j.bmc.2007.06.034	NON-PROTEIN TARGET	2
11881984	10.1021/jm010066k	Serine-threonine protein phosphatase 2A regulatory subunit	2
18622389	10.1038/nchembio.100	Saccharomyces cerevisiae	2

Data from ChEMBL 36 via Core Engine