Compound Detail

CHEMBL488436

AZD-5438

Phase I

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Phase I

Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL488436
Name	AZD-5438
Phase	Phase I
Structure Type	MOL
InChI Key	WJRRGYBTGDJBFX-UHFFFAOYSA-N

Known Names

Azd 5438 Azd-5438

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

371.5

MW (Da)

3.38

ALogP

HBA

HBD

89.8

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C18H21N5O2S
MW	371.47
Aromatic Rings	3
Heavy Atoms	26
NP-Likeness	-1.70

Mechanism of Action

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

Indications

Neoplasms

Activity Summary

IC50 38 meas. best 8.22

Kd 19 meas. best 7.26

EC50 2 meas. best 8.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Spiral organ of cochlea CHEMBL4296537	EC50	8.3	8.3	5.0	1
G1/S-specific cyclin-E1 CHEMBL3617	IC50	8.22	8.22	6.0	1
Cyclin-dependent kinase 2 CHEMBL301	IC50	8.22	8.22	6.0	5
Cyclin-dependent kinase 1 CHEMBL308	IC50	7.88	7.6725	13.3	4
G2/mitotic-specific cyclin-B1 CHEMBL2412	IC50	7.8	7.8	16.0	1
Cyclin-dependent kinase 9 CHEMBL3116	IC50	7.74	7.72	18.2	2
CDK9/cyclin T1 CHEMBL2111389	IC50	7.7	7.7	20.0	1
Cyclin-T1 CHEMBL2108	IC50	7.7	7.7	20.0	1
G1/S-specific cyclin-D3 CHEMBL2422	IC50	7.68	7.68	21.0	1
Cyclin-dependent kinase 6 CHEMBL2508	IC50	7.66	7.66	22.1	1
CDK2/Cyclin A2 CHEMBL3038469	IC50	7.35	7.35	45.0	1
Cyclin-A2 CHEMBL2582	IC50	7.35	7.35	45.0	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Kd	7.26	7.26	55.0	1
Glycogen synthase kinase-3 beta CHEMBL262	Kd	7.21	7.21	62.0	1
Trypanosoma brucei brucei CHEMBL612851	IC50	7.08	6.8367	84.0	3
Trypanosoma brucei CHEMBL612849	IC50	6.68	6.63	210.0	2
AP2-associated protein kinase 1 CHEMBL3830	Kd	6.64	6.64	228.0	1
Cyclin-dependent kinase 9 CHEMBL3116	Kd	6.5	6.5	320.0	1
PC-3 CHEMBL390	IC50	6.44	6.44	360.0	1
Cyclin-dependent kinase 4 CHEMBL331	IC50	6.35	6.35	450.0	1
HCT-116 CHEMBL394	IC50	6.33	6.33	470.0	1
LoVo CHEMBL614721	IC50	6.2	6.1333	630.0	3
Cyclin-dependent kinase 5 CHEMBL4036	Kd	6.2	6.2	627.0	1
Unchecked CHEMBL612545	EC50	6.16	6.16	700.0	1
HeLa CHEMBL399	IC50	6.14	6.03	730.0	2
Cyclin-dependent kinase 2 CHEMBL301	Kd	6.14	6.14	721.0	1
Interleukin-1 receptor-associated kinase 3 CHEMBL5081	Kd	6.11	6.11	771.0	1
BMP-2-inducible protein kinase CHEMBL4522	Kd	6.08	6.08	826.0	1
Trypanosoma cruzi CHEMBL368	IC50	5.97	5.97	1080.0	1
Leishmania infantum CHEMBL612848	IC50	5.94	5.94	1150.0	1
Casein kinase I isoform delta CHEMBL2828	Kd	5.93	5.93	1169.0	1
Unchecked CHEMBL612545	Kd	5.82	5.82	1527.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	Kd	5.78	5.78	1676.0	1
Mitogen-activated protein kinase 9 CHEMBL4179	Kd	5.72	5.72	1898.0	1
Casein kinase II subunit alpha' CHEMBL4070	Kd	5.72	5.72	1882.0	1
Cyclin-dependent kinase 1 CHEMBL308	Kd	5.7	5.7	1992.0	1
Serine/threonine-protein kinase D2 CHEMBL4900	Kd	5.64	5.64	2314.0	1
Cyclin-dependent kinase 7 CHEMBL3055	Kd	5.63	5.63	2332.0	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	5.5	5.5	3200.0	1
Leishmania major CHEMBL612879	IC50	5.5	5.5	3150.0	1
Casein kinase I isoform alpha CHEMBL2793	Kd	5.49	5.49	3238.0	1
MDA-MB-231 CHEMBL400	IC50	5.14	5.14	7200.0	1
MCF7 CHEMBL387	IC50	4.97	4.97	10670.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	6946.49	ng.hr.mL-1	Mus musculus
CL	21.8	mL.min-1.kg-1	Mus musculus
Cmax	6400.0	nM	Mus musculus
F	91.0	%	Mus musculus
Fu	0.087	-	Rattus norvegicus
Tmax	0.33	hr	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Spiral organ of cochlea	EC50	=	5.0	nM	8.3	Protection against cisplatin-induced toxicity in P3 mouse cochlear explants asse...	30091915
Cyclin-dependent kinase 2	IC50	=	6.0	nM	8.22	Inhibition of CDK2	18815031
G1/S-specific cyclin-E1	IC50	=	6.0	nM	8.22	Inhibition of Cyclin E/CDK2	18815031
Cyclin-dependent kinase 2	IC50	=	6.0	nM	8.22	Inhibition of CDK2	18996007
Cyclin-dependent kinase 2	IC50	=	6.0	nM	8.22	Inhibition of CDK2 (unknown origin)	32707525
Cyclin-dependent kinase 2	IC50	=	6.08	nM	8.22	Inhibition of CDK2 (unknown origin)	38488882
Cyclin-dependent kinase 2	IC50	=	6.0	nM	8.22	Inhibition of CDK2 (unknown origin)	38564299
Cyclin-dependent kinase 1	IC50	=	13.34	nM	7.88	Inhibition of CDK1 (unknown origin)	38488882
Cyclin-dependent kinase 1	IC50	=	16.0	nM	7.8	Inhibition of CDK1 (unknown origin)	32707525
Cyclin-dependent kinase 1	IC50	=	16.0	nM	7.8	Inhibition of CDK1 (unknown origin)	38564299
G2/mitotic-specific cyclin-B1	IC50	=	16.0	nM	7.8	Inhibition of Cyclin B1/CDK1	18815031
Cyclin-dependent kinase 9	IC50	=	18.25	nM	7.74	Inhibition of CDK9 (unknown origin)	38488882
Cyclin-T1	IC50	=	20.0	nM	7.7	Inhibition of Cyclin T/CDK9	18815031
Cyclin-dependent kinase 9	IC50	=	20.0	nM	7.7	Inhibition of CDK9 (unknown origin)	32707525
CDK9/cyclin T1	IC50	=	20.0	nM	7.7	Inhibition of CDK9/cyclin T1 (unknown origin)	38564299
G1/S-specific cyclin-D3	IC50	=	21.0	nM	7.68	Inhibition of Cyclin D3/CDK6	18815031
Cyclin-dependent kinase 6	IC50	=	22.05	nM	7.66	Inhibition of CDK6 (unknown origin)	38488882
Cyclin-A2	IC50	=	45.0	nM	7.35	Inhibition of Cyclin A/CDK2	18815031
CDK2/Cyclin A2	IC50	=	45.0	nM	7.35	Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substr...	31254921
Glycogen synthase kinase-3 alpha	Kd	=	55.0	nM	7.26	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

Literature References

PubMed	DOI	Target Context	# Activities
18815031	10.1016/j.bmcl.2008.09.024	Mus musculus	6
29191878	10.1126/science.aan4368	Unchecked	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
30091915	10.1021/acs.jmedchem.8b00669	Mus musculus	4
30647879	10.1039/C8MD00319J	Trypanosoma brucei brucei	4
27519462	10.1016/j.bmc.2016.07.069	Trypanosoma brucei	3
38488882	10.1021/acs.jmedchem.3c02329	HCT-116	3
-	10.6019/CHEMBL3832761	Trypanosoma brucei	2
18815031	10.1016/j.bmcl.2008.09.024	No relevant target	2
30091915	10.1021/acs.jmedchem.8b00669	No relevant target	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
30091915	10.1021/acs.jmedchem.8b00669	Cyclin-dependent kinase 2	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
18815031	10.1016/j.bmcl.2008.09.024	G1/S-specific cyclin-D3	1
18986805	10.1016/j.bmcl.2008.10.075	Voltage-gated inwardly rectifying potassium channel KCNH2	1
18986805	10.1016/j.bmcl.2008.10.075	LoVo	1
18986805	10.1016/j.bmcl.2008.10.075	Cyclin-dependent kinase 2	1
38157838	10.1016/j.bmc.2023.117561	Unchecked	1
18815031	10.1016/j.bmcl.2008.09.024	Cyclin-A2	1
18815031	10.1016/j.bmcl.2008.09.024	Serum	1

Data from ChEMBL 36 via Core Engine