Compound Detail

CHEMBL258805

SU-9516

Phase I

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Phase I

COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL258805
Name	SU-9516
Phase	Phase I
Structure Type	MOL
InChI Key	QNUKRWAIZMBVCU-WCIBSUBMSA-N

Known Names

Su-9516 Su9516

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Mechanisms

Molecular Properties

241.2

MW (Da)

1.91

ALogP

HBA

HBD

67.0

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C13H11N3O2
MW	241.25
Aromatic Rings	2
Heavy Atoms	18
NP-Likeness	-0.27

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Cyclin-dependent kinase 2 inhibitor	INHIBITOR	Cyclin-dependent kinase 2	✓	✓

Activity Summary

IC50 43 meas. best 7.66

EC50 5 meas. best 6.75

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600	IC50	7.66	7.66	22.0	1
Unchecked CHEMBL612545	IC50	7.66	6.1667	22.0	9
Cyclin-dependent kinase 2 CHEMBL301	IC50	7.66	6.728	22.0	5
Cyclin-dependent kinase 1/cyclin B CHEMBL2094127	IC50	7.66	7.66	22.0	1
Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605	IC50	7.58	7.58	26.0	1
CDK2/Cyclin A2 CHEMBL3038469	IC50	7.57	7.57	27.0	1
Cyclin-dependent kinase 1 CHEMBL308	IC50	7.4	7.33	40.0	2
Cyclin-dependent kinase 5 CHEMBL4036	IC50	7.19	7.19	65.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.89	6.89	130.0	1
Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602	IC50	6.78	6.78	168.0	1
Trypanosoma brucei CHEMBL612849	EC50	6.75	6.75	180.0	1
Cyclin-dependent kinase 4 CHEMBL331	IC50	6.7	6.61	200.0	2
Serine/threonine-protein kinase tousled-like 2 CHEMBL5404	IC50	6.62	6.4733	240.0	3
Glycogen synthase kinase-3 CHEMBL2095188	IC50	6.46	6.46	350.0	1
CDK7/Cyclin H/MNAT1 CHEMBL3038473	IC50	6.04	6.04	905.0	1
Unchecked CHEMBL612545	EC50	6.02	5.91	956.0	2
ATP-dependent molecular chaperone HSP82 CHEMBL1293251	EC50	5.9	5.9	1250.0	1
CDK9/cyclin T1 CHEMBL2111389	IC50	5.82	5.82	1500.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	5.8	5.8	1600.0	1
Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601	IC50	5.77	5.77	1700.0	1
Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785	IC50	5.3	5.3	5000.0	1
Spiral organ of cochlea CHEMBL4296537	EC50	5.22	5.22	6000.0	1
Plasmodium falciparum CHEMBL364	IC50	5.2	5.0143	6309.6	7
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	4.96	4.96	11000.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	4.75	4.75	18000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	22.0	nM	7.66	Inhibition Cdk2/cyclin A	18077363
Cyclin-dependent kinase 1/cyclin B	IC50	=	22.0	nM	7.66	Inhibition of CDK1/cyclinB	15559249
Cyclin-dependent kinase 2	IC50	=	22.0	nM	7.66	Inhibition of His-6-tagged CDK2 (unknown origin) expressed in baculovirus-infect...	24417566
Cyclin-dependent kinase 5/CDK5 activator 1	IC50	=	22.0	nM	7.66	Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infe...	30234987
Cyclin-dependent kinase 2/cyclin E1	IC50	=	26.0	nM	7.58	Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus...	30234987
CDK2/Cyclin A2	IC50	=	27.0	nM	7.57	Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichi...	30234987
Cyclin-dependent kinase 2	IC50	=	35.0	nM	7.46	Inhibition of CDK2	16584130
Unchecked	IC50	=	40.0	nM	7.4	Inhibition of Cdk1/cyclin B	18077363
Cyclin-dependent kinase 1	IC50	=	40.0	nM	7.4	Inhibition of His-6-tagged CDK1 (unknown origin) expressed in baculovirus-infect...	24417566
Cyclin-dependent kinase 1	IC50	=	55.0	nM	7.26	Inhibition of CDK1	16584130
Cyclin-dependent kinase 5	IC50	=	65.0	nM	7.19	Inhibition of CDK5	16584130
Cyclin-dependent kinase 2	IC50	=	110.0	nM	6.96	Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CD...	36701569
Cyclin-dependent kinase 2	IC50	=	110.0	nM	6.96	Inhibitory activity against Cyclin-dependent kinase 2	12749903
Vascular endothelial growth factor receptor 2	IC50	=	130.0	nM	6.89	Inhibitory activity was tested against FLK kinase	12749903
Cyclin-dependent kinase 1/cyclin B1	IC50	=	168.0	nM	6.78	Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculoviru...	30234987
Trypanosoma brucei	EC50	=	180.0	nM	6.75	Antitrypanosomal activity against blood stream form of Trypanosoma brucei 427 as...	18644955
Cyclin-dependent kinase 4	IC50	=	200.0	nM	6.7	Inhibition of His-6-tagged CDK4 (unknown origin) expressed in baculovirus-infect...	24417566
Unchecked	IC50	=	200.0	nM	6.7	Inhibition of Cdk4/cyclin D1	18077363
Serine/threonine-protein kinase tousled-like 2	IC50	=	240.0	nM	6.62	Inhibition of human TLK2 preincubated for 20 mins followed by 33P-ATP addition a...	38636130
Serine/threonine-protein kinase tousled-like 2	IC50	=	280.0	nM	6.55	Inhibition of recombinant human TLK2 (388 to end residues) using myelin basic pr...	38636130

Literature References

PubMed	DOI	Target Context	# Activities
19734910	10.1038/nchembio.215	Plasmodium falciparum	7
18077363	10.1073/pnas.0708800104	Unchecked	5
36701569	10.1021/acs.jmedchem.2c01731	Cyclin-dependent kinase 2	4
38636130	10.1016/j.ejmech.2024.116357	Serine/threonine-protein kinase tousled-like 2	4
23398362	10.1042/bj20121418	cGMP-dependent protein kinase 1	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase Lck	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase HCK	4
23398362	10.1042/bj20121418	Insulin receptor	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
23398362	10.1042/bj20121418	Protein kinase C beta type	4
23398362	10.1042/bj20121418	Insulin-like growth factor 1 receptor	4
23398362	10.1042/bj20121418	Serine/threonine-protein kinase mTOR	4
23398362	10.1042/bj20121418	Cyclin-dependent kinase 5/CDK5 activator 1	4
30234987	10.1021/acs.jmedchem.8b00049	HCT-116	3
23398362	10.1042/bj20121418	Mitogen-activated protein kinase 10	2
23398362	10.1042/bj20121418	Inhibitor of nuclear factor kappa-B kinase subunit alpha	2
23398362	10.1042/bj20121418	Aurora kinase A	2
23398362	10.1042/bj20121418	Serine/threonine-protein kinase 4	2
23398362	10.1042/bj20121418	Cyclin-dependent kinase 2/cyclin E	2
23398362	10.1042/bj20121418	Dual specificity mitogen-activated protein kinase kinase 1	2

Data from ChEMBL 36 via Core Engine