Compound Detail

CHEMBL4784318

CIRTUVIVINT

Phase I

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Phase I

CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4784318
Name	CIRTUVIVINT
Phase	Phase I
Structure Type	MOL
InChI Key	BQWWOBKMDWACGC-UHFFFAOYSA-N

Known Names

Cirtuvivint

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

427.5

MW (Da)

3.03

ALogP

HBA

HBD

79.2

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem

-vin-; -vivint

Extended Properties

Molecular Formula	C24H25N7O
MW	427.51
Aromatic Rings	4
Heavy Atoms	32
NP-Likeness	-1.77

Indications

Leukemia, Myeloid Leukemia, Myeloid, Acute Myelodysplastic Syndromes

Activity Summary

EC50 45 meas. best 9.0

IC50 27 meas. best 9.0

Kd 3 meas. best 10.74

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK1 CHEMBL4224	Kd	10.74	10.74	0.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Kd	9.79	9.79	0.2	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	EC50	9.0	8.8838	1.0	21
Dual specificity protein kinase CLK4 CHEMBL4203	IC50	9.0	8.685	1.0	2
Dual specificity protein kinase CLK2 CHEMBL4225	EC50	9.0	9.0	1.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	IC50	8.85	8.6267	1.4	3
Dual specificity tyrosine-phosphorylation-regulated kinase 4 CHEMBL1075115	IC50	8.7	7.88	2.0	2
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	IC50	8.7	8.2633	2.0	3
Dual specificity protein kinase CLK2 CHEMBL4225	IC50	8.7	8.635	2.0	4
Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376	IC50	8.7	8.045	2.0	2
Dual specificity protein kinase CLK3 CHEMBL4226	IC50	8.66	7.8825	2.2	4
Dual specificity protein kinase CLK1 CHEMBL4224	IC50	8.15	8.0967	7.1	3
Dual specificity protein kinase CLK3 CHEMBL4226	EC50	7.92	7.92	12.0	1
NCI-N87 CHEMBL614197	EC50	7.77	7.77	17.0	1
Unchecked CHEMBL612545	EC50	7.67	7.67	21.5	1
Proto-oncogene Wnt-1 CHEMBL1255129	EC50	7.35	7.3	45.0	5
HT-22 CHEMBL614316	IC50	6.75	6.75	180.0	1
Glycogen synthase kinase-3 beta CHEMBL262	Kd	5.93	5.93	1183.0	1
Glycogen synthase kinase-3 beta CHEMBL262	EC50	5.87	5.544	1359.0	15
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	IC50	5.68	5.68	2104.0	1
Casein kinase I isoform epsilon CHEMBL4937	IC50	5.52	5.52	3015.0	1
Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600	IC50	5.4	5.4	3960.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK1	Kd	=	0.018	nM	10.74	Binding affinity to human CLK1 assessed as equilibrium dissociation constant mea...	36876904
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Kd	=	0.163	nM	9.79	Binding affinity to human DYRK1A assessed as equilibrium dissociation constant m...	36876904
Dual specificity protein kinase CLK4	IC50	=	1.0	nM	9.0	Inhibition of CLK4 (unknown origin) by Z'-LYTE assay	35872347
Dual specificity protein kinase CLK2	EC50	=	1.0	nM	9.0	Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.0	nM	9.0	The DYRK1A kinase assa: Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr pept...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.0	nM	9.0	DYRKIA Kinase Activity Assay: The DYRKIA kinase assay was run using the Ser/Thr ...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.0	nM	9.0	Kinase Assay: The DYRKIA kinase assay was run using the Ser/Thr 18 peptide Z-lyt...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.0	nM	9.0	The DYRKIA kinase assay: The DYRKIA kinase assay was run using the Ser/Thr 18 pe...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.0	nM	9.0	Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.2	nM	8.92	The DYRK1A kinase assa: Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr pept...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.2	nM	8.92	Kinase Assay: The DYRKIA kinase assay was run using the Ser/Thr 18 peptide Z-lyt...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.2	nM	8.92	The DYRKIA kinase assay: The DYRKIA kinase assay was run using the Ser/Thr 18 pe...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.2	nM	8.92	DYRKIA Kinase Activity Assay: The DYRKIA kinase assay was run using the Ser/Thr ...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.4	nM	8.85	Kinase Assay: The DYRKIA kinase assay was run using the Ser/Thr 18 peptide Z-lyt...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.4	nM	8.85	The DYRKIA kinase assay: The DYRKIA kinase assay was run using the Ser/Thr 18 pe...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.4	nM	8.85	DYRKIA Kinase Activity Assay: The DYRKIA kinase assay was run using the Ser/Thr ...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.4	nM	8.85	The DYRK1A kinase assa: Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr pept...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	1.4	nM	8.85	Inhibition of recombinant human DYRK1A expressed in Escherichia coli using DYRKt...	36876904
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.5	nM	8.82	Kinase Assay: The DYRKIA kinase assay was run using the Ser/Thr 18 peptide Z-lyt...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.5	nM	8.82	The DYRKIA kinase assay: The DYRKIA kinase assay was run using the Ser/Thr 18 pe...	-

Literature References

PubMed	DOI	Target Context	# Activities
36876904	10.1021/acs.jmedchem.2c02068	Unchecked	5
36876904	10.1021/acs.jmedchem.2c02068	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	4
36876904	10.1021/acs.jmedchem.2c02068	Dual specificity protein kinase CLK1	4
36876904	10.1021/acs.jmedchem.2c02068	Glycogen synthase kinase-3 beta	3
36876904	10.1021/acs.jmedchem.2c02068	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	2
35872347	10.1016/j.bmc.2022.116914	NCI-N87	1
36876904	10.1021/acs.jmedchem.2c02068	HT-22	1
36876904	10.1021/acs.jmedchem.2c02068	Casein kinase I isoform epsilon	1
36876904	10.1021/acs.jmedchem.2c02068	Cyclin-dependent kinase 5/CDK5 activator 1	1
34519506	10.1021/acs.jmedchem.1c00985	Dual specificity protein kinase CLK2	1
34519506	10.1021/acs.jmedchem.1c00985	Dual specificity protein kinase CLK3	1
35863237	10.1016/j.bmc.2022.116921	Dual specificity protein kinase CLK2	1
35872347	10.1016/j.bmc.2022.116914	Dual specificity tyrosine-phosphorylation-regulated kinase 4	1
35872347	10.1016/j.bmc.2022.116914	Dual specificity tyrosine-phosphorylation-regulated kinase 2	1
35872347	10.1016/j.bmc.2022.116914	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	1
35872347	10.1016/j.bmc.2022.116914	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	1
35872347	10.1016/j.bmc.2022.116914	Dual specificity protein kinase CLK4	1
35872347	10.1016/j.bmc.2022.116914	Dual specificity protein kinase CLK3	1
35872347	10.1016/j.bmc.2022.116914	Dual specificity protein kinase CLK2	1
35872347	10.1016/j.bmc.2022.116914	Dual specificity protein kinase CLK1	1

Data from ChEMBL 36 via Core Engine