Compound Detail

CHEMBL4116008

CERDULATINIB

🧪 Phase II

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🧪 Phase II

CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4116008
Name	CERDULATINIB
Phase	Phase II
Structure Type	MOL
InChI Key	BGLPECHZZQDNCD-UHFFFAOYSA-N

Known Names

Cerdulatinib PRT-062070 Prt-2070 RVT-502

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

445.6

MW (Da)

1.37

ALogP

HBA

HBD

133.6

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem

-tinib

Extended Properties

Molecular Formula	C20H27N7O3S
MW	445.55
Aromatic Rings	2
Heavy Atoms	31
NP-Likeness	-1.95

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Tyrosine-protein kinase SYK inhibitor	INHIBITOR	Tyrosine-protein kinase SYK	✓	✓
Tyrosine-protein kinase JAK1 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK1	✓	✓
Tyrosine-protein kinase JAK3 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK3	✓	✓
Tyrosine-protein kinase TYK2 inhibitor	INHIBITOR	Non-receptor tyrosine-protein kinase TYK2	✓	✓

Indications

Enteropathy-Associated T-Cell Lymphoma Vitiligo Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma Lymphoma, Follicular

Activity Summary

IC50 42 meas. best 9.3

Kd 5 meas. best 8.48

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	IC50	9.3	8.7267	0.5	3
Tyrosine-protein kinase JAK3 CHEMBL2148	Kd	8.48	8.48	3.3	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	8.4	8.4	4.0	1
Unchecked CHEMBL612545	IC50	8.4	7.7433	4.0	3
Serine/threonine-protein kinase MARK1 CHEMBL5940	IC50	8.4	8.4	4.0	1
NUAK family SNF1-like kinase 1 CHEMBL5784	IC50	8.4	8.4	4.0	2
Serine/threonine-protein kinase TBK1 CHEMBL5408	IC50	8.4	8.4	4.0	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	IC50	8.4	8.4	4.0	1
Ribosomal protein S6 kinase alpha-6 CHEMBL4924	IC50	8.4	8.4	4.0	1
Serine/threonine-protein kinase 3 CHEMBL4708	IC50	8.4	8.4	4.0	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	8.4	8.4	4.0	1
Serine/threonine-protein kinase 4 CHEMBL4598	IC50	8.4	8.4	4.0	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	IC50	8.4	8.4	4.0	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	IC50	8.4	8.4	4.0	1
Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872	IC50	8.4	8.4	4.0	1
Mitogen-activated protein kinase 10 CHEMBL2637	IC50	8.4	8.4	4.0	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	IC50	8.4	8.4	4.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	8.4	8.4	4.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	8.4	8.4	4.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	8.4	8.4	4.0	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Kd	8.32	8.185	4.8	2
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	8.22	7.9733	6.0	6
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	Kd	8.16	8.16	6.9	1
Tyrosine-protein kinase JAK3 CHEMBL2148	IC50	8.1	8.0	8.0	5
Tyrosine-protein kinase JAK1 CHEMBL2835	IC50	7.92	7.868	12.0	5
Tyrosine-protein kinase JAK1 CHEMBL2835	Kd	7.64	7.64	23.0	1
Tyrosine-protein kinase SYK CHEMBL2599	IC50	7.5	7.38	32.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Non-receptor tyrosine-protein kinase TYK2	IC50	=	0.5	nM	9.3	Inhibition of TYK2 (unknown origin)	35749986
Non-receptor tyrosine-protein kinase TYK2	IC50	=	0.5	nM	9.3	Inhibition of TYK2 (unknown origin)	32120325
Tyrosine-protein kinase JAK3	Kd	=	3.3	nM	8.48	Binding affinity to recombinant human JAK3 kinase domain by fluorescence polariz...	38843875
Mitogen-activated protein kinase kinase kinase kinase 2	IC50	=	4.0	nM	8.4	Inhibition of GCK (unknown origin)	35749986
Serine/threonine-protein kinase MARK1	IC50	=	4.0	nM	8.4	Inhibition of MARK1 (unknown origin)	35749986
Unchecked	IC50	=	4.0	nM	8.4	Inhibition of AMPK (unknown origin)	35749986
Macrophage colony-stimulating factor 1 receptor	IC50	=	4.0	nM	8.4	Inhibition of FMS (unknown origin)	35749986
Mitogen-activated protein kinase kinase kinase 9	IC50	=	4.0	nM	8.4	Inhibition of MLK1 (unknown origin)	35749986
Serine/threonine-protein kinase 4	IC50	=	4.0	nM	8.4	Inhibition of MST1 (unknown origin)	35749986
Serine/threonine-protein kinase 3	IC50	=	4.0	nM	8.4	Inhibition of MST2 (unknown origin)	35749986
Mitogen-activated protein kinase 10	IC50	=	4.0	nM	8.4	Inhibition of JNK3 (unknown origin)	35749986
Ribosomal protein S6 kinase alpha-3	IC50	=	4.0	nM	8.4	Inhibition of RSK2 (unknown origin)	35749986
Ribosomal protein S6 kinase alpha-6	IC50	=	4.0	nM	8.4	Inhibition of RSK4 (unknown origin)	35749986
Serine/threonine-protein kinase Chk1	IC50	=	4.0	nM	8.4	Inhibition of CHK1 (unknown origin)	35749986
Vascular endothelial growth factor receptor 3	IC50	=	4.0	nM	8.4	Inhibition of FLT4 (unknown origin)	35749986
Receptor-type tyrosine-protein kinase FLT3	IC50	=	4.0	nM	8.4	Inhibition of FLT3 (unknown origin)	35749986
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	4.0	nM	8.4	Inhibition of RET (unknown origin)	35749986
Tyrosine-protein kinase ITK/TSK	IC50	=	4.0	nM	8.4	Inhibition of ITK (unknown origin)	35749986
NUAK family SNF1-like kinase 1	IC50	=	4.0	nM	8.4	Inhibition of NUAK1 (unknown origin)	33356242
NUAK family SNF1-like kinase 1	IC50	=	4.0	nM	8.4	Inhibition of ARK5 (unknown origin)	35749986

Literature References

PubMed	DOI	Target Context	# Activities
35749986	10.1016/j.ejmech.2022.114551	Unchecked	11
38843875	10.1021/acs.jmedchem.4c00197	Tyrosine-protein kinase JAK2	7
38843875	10.1021/acs.jmedchem.4c00197	Unchecked	4
38843875	10.1021/acs.jmedchem.4c00197	Tyrosine-protein kinase JAK1	3
38843875	10.1021/acs.jmedchem.4c00197	Non-receptor tyrosine-protein kinase TYK2	3
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
38843875	10.1021/acs.jmedchem.4c00197	Tyrosine-protein kinase JAK3	2
33539089	10.1021/acs.jmedchem.0c01467	Tyrosine-protein kinase JAK3	1
35749986	10.1016/j.ejmech.2022.114551	Tyrosine-protein kinase JAK3	1
35749986	10.1016/j.ejmech.2022.114551	Tyrosine-protein kinase JAK2	1
32120325	10.1016/j.ejmech.2020.112155	Tyrosine-protein kinase JAK1	1
32120325	10.1016/j.ejmech.2020.112155	Tyrosine-protein kinase JAK3	1
32120325	10.1016/j.ejmech.2020.112155	Tyrosine-protein kinase JAK2	1
33539089	10.1021/acs.jmedchem.0c01467	Tyrosine-protein kinase JAK1	1
29969256	10.1021/acs.jmedchem.8b00294	Tyrosine-protein kinase JAK3	1
33356242	10.1021/acs.jmedchem.0c00533	NUAK family SNF1-like kinase 1	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
29969256	10.1021/acs.jmedchem.8b00294	Tyrosine-protein kinase JAK2	1

Data from ChEMBL 36 via Core Engine