Compound Detail

CHEMBL445813

AT-7519

🧪 Phase II

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🧪 Phase II

O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL445813
Name	AT-7519
Phase	Phase II
Structure Type	MOL
InChI Key	OVPNQJVDAFNBDN-UHFFFAOYSA-N

Known Names

AT 7519 At-7519 AT7519 Cdki at7519

Targets

151

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

382.2

MW (Da)

2.45

ALogP

HBA

HBD

98.9

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C16H17Cl2N5O2
MW	382.25
Aromatic Rings	2
Heavy Atoms	25
NP-Likeness	-1.47

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Cyclin-dependent kinase inhibitor	INHIBITOR	Cyclin-dependent kinase	✓	✓

Indications

Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma, Mantle-Cell Lymphoma Multiple Myeloma Neoplasms

Activity Summary

IC50 79 meas. best 8.3

Kd 61 meas. best 9.02

Ki 9 meas. best 7.75

EC50 2 meas. best 7.6

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cyclin-dependent kinase 17 CHEMBL5790	Kd	9.02	8.585	0.9	2
Cyclin-dependent kinase 16 CHEMBL4597	Kd	8.96	8.53	1.1	2
Cyclin-dependent kinase-like 5 CHEMBL1163112	Kd	8.59	8.59	2.6	1
Cyclin-dependent kinase 7 CHEMBL3055	Kd	8.55	6.97	2.8	2
Cyclin-dependent kinase 13 CHEMBL1795192	Kd	8.49	7.59	3.2	2
CDK9/cyclin T1 CHEMBL2111389	IC50	8.3	8.15	5.0	2
Cyclin-dependent kinase 11A CHEMBL5416	Kd	8.28	8.28	5.2	1
Cyclin-dependent kinase 9 CHEMBL3116	Kd	8.24	8.195	5.8	2
Cyclin-dependent kinase 11B CHEMBL5808	Kd	8.08	8.08	8.4	1
Serine/threonine-protein kinase ICK CHEMBL1163126	Kd	8.08	8.08	8.3	1
Cyclin-dependent kinase 1 CHEMBL308	IC50	8.0	7.34	10.0	2
Cyclin-dependent kinase 2 CHEMBL301	IC50	8.0	7.4975	10.0	4
Cyclin-dependent kinase 4 CHEMBL331	IC50	8.0	7.5833	10.0	3
Cyclin-dependent kinase 9 CHEMBL3116	IC50	8.0	8.0	10.0	2
Cyclin-dependent kinase 6 CHEMBL2508	IC50	8.0	7.385	10.0	2
Glycogen synthase kinase-3 beta CHEMBL262	Kd	7.96	7.6	11.0	2
Dual specificity protein kinase CLK3 CHEMBL4226	Kd	7.92	7.175	12.0	2
Cyclin-dependent kinase 4 CHEMBL331	Kd	7.92	7.5	12.0	3
Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600	IC50	7.89	7.31	13.0	3
Cyclin-dependent kinase 5 CHEMBL4036	IC50	7.89	7.89	13.0	1
Cyclin-dependent kinase 18 CHEMBL5316	Kd	7.85	7.85	14.0	1
Cyclin-dependent kinase 14 CHEMBL6162	Kd	7.8	7.8	16.0	1
Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600	Ki	7.75	7.75	18.0	1
Cyclin-dependent kinase 14/Cyclin-Y CHEMBL4296115	IC50	7.7	7.7	19.8	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Kd	7.64	7.56	23.0	2
Peripheral plasma membrane protein CASK CHEMBL1908381	Kd	7.62	7.62	24.0	1
Spiral organ of cochlea CHEMBL4296537	EC50	7.6	7.6	25.0	1
Cyclin-dependent kinase 2 CHEMBL301	Kd	7.52	7.145	30.0	2
CDK2/Cyclin A2 CHEMBL3038469	IC50	7.5	7.364	32.0	5
Mitogen-activated protein kinase 7 CHEMBL5332	Kd	7.38	6.99	42.0	2
Unchecked CHEMBL612545	IC50	7.36	6.6036	44.0	14
CDK2/Cyclin A2 CHEMBL3038469	Ki	7.36	7.36	44.0	1
Cyclin-dependent kinase 2/cyclin A CHEMBL2094128	Ki	7.33	7.33	47.0	1
Cyclin-dependent kinase 2/cyclin A CHEMBL2094128	IC50	7.33	7.33	47.0	1
Serine/threonine-protein kinase TAO2 CHEMBL1075195	Kd	7.3	6.715	50.0	2
Serine/threonine-protein kinase TAO3 CHEMBL5701	Kd	7.24	6.215	57.0	2
Cyclin-dependent kinase 3 CHEMBL4442	Kd	7.22	7.22	60.0	1
Cyclin-dependent kinase 15 CHEMBL5856	Kd	7.21	7.21	62.0	1
Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601	Ki	7.17	7.17	67.0	1
Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601	IC50	7.17	7.0567	67.0	3
CDK4/Cyclin D3 CHEMBL3038472	IC50	7.14	7.14	72.0	1
HCT-116 CHEMBL394	IC50	7.1	7.0233	80.0	3
Glycogen synthase kinase-3 beta CHEMBL262	IC50	7.05	7.03	89.0	2
Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602	IC50	7.05	6.755	89.0	6
Serine/threonine-protein kinase MAK CHEMBL1163106	Kd	7.01	7.01	97.0	1
MV4-11 CHEMBL613835	IC50	6.92	6.7433	120.0	3
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Kd	6.92	6.44	120.0	2
Mitogen-activated protein kinase 15 CHEMBL5198	Kd	6.92	6.92	120.0	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Kd	6.89	6.46	130.0	2
HL-60 CHEMBL383	IC50	6.87	6.25	134.8	2

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	6260.0	ng.hr/g	Mus musculus
CL	52.0	mL.min-1.kg-1	Mus musculus
CL	46.0	mL.min-1.kg-1	Mus musculus
CL	29.33	mL.min-1.kg-1	Rattus norvegicus
CL	4.0	mL.min-1.kg-1	Homo sapiens
F	1.0	%	Mus musculus
T1/2	0.68	hr	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cyclin-dependent kinase 17	Kd	=	0.95	nM	9.02	Binding constant for PCTK2 kinase domain	22037378
Cyclin-dependent kinase 16	Kd	=	1.1	nM	8.96	Binding constant for PCTK1 kinase domain	22037378
Cyclin-dependent kinase-like 5	Kd	=	2.6	nM	8.59	Binding constant for CDKL5 kinase domain	22037378
Cyclin-dependent kinase 7	Kd	=	2.8	nM	8.55	Binding constant for CDK7 kinase domain	22037378
Cyclin-dependent kinase 13	Kd	=	3.2	nM	8.49	Binding constant for CDC2L5 kinase domain	22037378
CDK9/cyclin T1	IC50	=	5.0	nM	8.3	Inhibition of CDK9/cyclin T1 (unknown origin) using FAM-labeled peptide and ATP ...	33611192
Cyclin-dependent kinase 11A	Kd	=	5.2	nM	8.28	Binding constant for CDC2L2 kinase domain	22037378
Cyclin-dependent kinase 9	Kd	=	5.8	nM	8.24	Binding constant for CDK9 kinase domain	22037378
Cyclin-dependent kinase 9	Kd	=	7.0	nM	8.15	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Cyclin-dependent kinase 17	Kd	=	7.0	nM	8.15	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Cyclin-dependent kinase 16	Kd	=	8.0	nM	8.1	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase ICK	Kd	=	8.3	nM	8.08	Binding constant for ICK kinase domain	22037378
Cyclin-dependent kinase 11B	Kd	=	8.4	nM	8.08	Binding constant for CDC2L1 kinase domain	22037378
Cyclin-dependent kinase 1	IC50	=	10.0	nM	8.0	Inhibition of CDK1 (unknown origin)	32707525
Cyclin-dependent kinase 6	IC50	=	10.0	nM	8.0	Inhibition of CDK6 (unknown origin)	32707525
Cyclin-dependent kinase 9	IC50	=	10.0	nM	8.0	Inhibition of CDK9 (unknown origin)	32707525
Cyclin-dependent kinase 4	IC50	=	10.0	nM	8.0	Inhibition of CDK4 (unknown origin)	32707525
Cyclin-dependent kinase 2	IC50	=	10.0	nM	8.0	Inhibition of CDK2 (unknown origin)	32707525
CDK9/cyclin T1	IC50	=	10.0	nM	8.0	Inhibition of CDK9/Cyclin T (unknown origin)	35485642
Cyclin-dependent kinase 9	IC50	=	10.0	nM	8.0	Inhibition of CDK9 (unknown origin)	28911822

Literature References

PubMed	DOI	Target Context	# Activities
22037378	10.1038/nbt.1990	Tyrosine-protein kinase ABL1	15
22037378	10.1038/nbt.1990	Epidermal growth factor receptor	12
22037378	10.1038/nbt.1990	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	10
-	10.6019/CHEMBL5303304	Fibroblast	10
-	10.6019/CHEMBL5303304	HEK-293T	9
26254279	10.18632/oncotarget.4214	Unchecked	9
-	10.6019/CHEMBL5303304	U2OS	8
22037378	10.1038/nbt.1990	Mast/stem cell growth factor receptor Kit	8
22037378	10.1038/nbt.1990	Receptor-type tyrosine-protein kinase FLT3	7
-	10.6019/CHEMBL4495565	SARS-CoV-2	6
18656911	10.1021/jm800382h	Mus musculus	6
22037378	10.1038/nbt.1990	Proto-oncogene tyrosine-protein kinase receptor Ret	4
29191878	10.1126/science.aan4368	Unchecked	4
22037378	10.1038/nbt.1990	Hepatocyte growth factor receptor	3
19169685	10.1007/s00280-008-0921-5	Unchecked	3
33611192	10.1016/j.ejmech.2021.113281	CDK2/Cyclin A2	3
30091915	10.1021/acs.jmedchem.8b00669	Spiral organ of cochlea	3
33611192	10.1016/j.ejmech.2021.113281	Cyclin-dependent kinase 1/cyclin B1	3
33611192	10.1016/j.ejmech.2021.113281	CDK9/cyclin T1	3
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	3

Data from ChEMBL 36 via Core Engine