Compound Detail

CHEMBL607707

PELITINIB

🧪 Phase II

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🧪 Phase II

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL607707
Name	PELITINIB
Phase	Phase II
Structure Type	MOL
InChI Key	WVUNYSQLFKLYNI-AATRIKPKSA-N

Known Names

EKB-569 Pelitinib WAY-EKB-569

118

Targets

257

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

467.9

MW (Da)

5.10

ALogP

HBA

HBD

90.3

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-tinib
USAN Year	2000

Extended Properties

Molecular Formula	C24H23ClFN5O2
MW	467.93
Aromatic Rings	3
Heavy Atoms	33
NP-Likeness	-1.75

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Epidermal growth factor receptor erbB1 inhibitor	INHIBITOR	Epidermal growth factor receptor	✓	✓

Indications

Carcinoma, Non-Small-Cell Lung Colonic Neoplasms Colorectal Neoplasms Lung Neoplasms Rectal Neoplasms Neoplasms

Activity Summary

Kd 200 meas. best 9.64

IC50 55 meas. best 9.62

EC50 2 meas. best 5.9

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	Kd	9.64	9.3133	0.2	12
Epidermal growth factor receptor CHEMBL203	IC50	9.62	7.288	0.2	20
Cyclin-G-associated kinase CHEMBL4355	Kd	8.82	8.0325	1.5	4
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Kd	8.43	7.9367	3.7	3
NON-PROTEIN TARGET CHEMBL3879801	IC50	8.0	8.0	10.0	1
A-431 CHEMBL614069	IC50	8.0	7.55	10.0	2
Unchecked CHEMBL612545	Kd	7.68	7.68	21.0	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Kd	7.6	7.6	25.0	1
Tyrosine-protein kinase Lck CHEMBL258	Kd	7.36	7.18	44.0	2
TRAF2 and NCK-interacting protein kinase CHEMBL4527	Kd	7.35	6.67	45.0	3
Serine/threonine-protein kinase 17A CHEMBL4525	Kd	7.24	6.97	57.0	2
Myotonin-protein kinase CHEMBL5320	Kd	7.23	7.23	59.0	1
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	Kd	7.11	6.705	77.0	2
Tyrosine-protein kinase Blk CHEMBL2250	Kd	7.11	7.11	78.0	1
Unchecked CHEMBL612545	IC50	7.05	5.8243	90.0	7
Mitogen-activated protein kinase kinase kinase 1 CHEMBL3956	Kd	7.01	7.01	97.0	1
Casein kinase I isoform epsilon CHEMBL4937	Kd	7.01	6.6133	97.0	3
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	6.96	6.5336	110.0	14
Serine/threonine-protein kinase 10 CHEMBL3981	Kd	6.96	6.28	110.0	3
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Kd	6.92	6.735	120.0	2
Mitogen-activated protein kinase kinase kinase 4 CHEMBL4853	Kd	6.89	6.6233	130.0	3
Serine/threonine-protein kinase Nek2 CHEMBL3835	Kd	6.85	6.51	140.0	2
Tyrosine-protein kinase ABL2 CHEMBL4014	Kd	6.8	6.615	160.0	2
Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432	Kd	6.77	6.745	170.0	2
Wee1-like protein kinase CHEMBL5491	Kd	6.76	6.2933	172.0	3
Tyrosine-protein kinase FRK CHEMBL4223	Kd	6.72	6.5367	190.0	3
Tyrosine-protein kinase Fer CHEMBL3982	Kd	6.6	5.83	250.0	2
STE20-like serine/threonine-protein kinase CHEMBL4202	Kd	6.6	6.52	250.0	2
Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749	Kd	6.57	6.265	270.0	2
eIF-2-alpha kinase GCN2 CHEMBL5358	Kd	6.54	6.54	290.0	1
Citron Rho-interacting kinase CHEMBL5579	Kd	6.51	6.51	310.0	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Kd	6.48	6.48	330.0	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Kd	6.44	5.75	360.0	2
Ephrin type-A receptor 8 CHEMBL4134	Kd	6.4	5.94	400.0	2
Wee1-like protein kinase 2 CHEMBL5095	Kd	6.3	6.3	498.0	1
Schistosoma mansoni CHEMBL612893	IC50	6.3	5.92	500.0	2
Tyrosine-protein kinase BTK CHEMBL5251	Kd	6.29	5.8067	514.0	3
BMP-2-inducible protein kinase CHEMBL4522	Kd	6.27	5.8267	540.0	3
Serine/threonine-protein kinase Nek2 CHEMBL3835	IC50	6.18	6.18	661.0	1
SW-620 CHEMBL612262	IC50	6.17	6.17	680.0	2
SK-BR-3 CHEMBL613834	IC50	6.17	6.17	680.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	Kd	6.16	5.955	700.0	2
Ephrin type-A receptor 5 CHEMBL3987	Kd	6.15	6.15	710.0	1
Tyrosine-protein kinase Lyn CHEMBL3905	Kd	6.14	6.08	720.0	2
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	IC50	6.09	5.7091	813.8	11
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Kd	6.09	5.83	810.0	2
Receptor tyrosine-protein kinase erbB-4 CHEMBL3009	IC50	6.09	5.5433	813.8	6
Tyrosine-protein kinase Yes CHEMBL2073	Kd	6.08	6.02	840.0	2
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Kd	6.06	5.99	875.0	2
Activated CDC42 kinase 1 CHEMBL4599	Kd	6.05	5.665	890.0	2

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	0.5167	hr	-
T1/2	21.7	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	Kd	=	0.23	nM	9.64	Binding constant for EGFR(L747-T751del,Sins) kinase domain	18183025
Epidermal growth factor receptor	IC50	=	0.24	nM	9.62	Inhibition of EGFR	20797871
Epidermal growth factor receptor	Kd	=	0.24	nM	9.62	Binding constant for EGFR(L747-E749del, A750P) kinase domain	18183025
Epidermal growth factor receptor	Kd	=	0.24	nM	9.62	Binding constant for EGFR(G719C) kinase domain	18183025
Epidermal growth factor receptor	Kd	=	0.27	nM	9.57	Binding constant for EGFR(L747-S752del, P753S) kinase domain	18183025
Epidermal growth factor receptor	Kd	=	0.33	nM	9.48	Binding constant for EGFR(S752-I759del) kinase domain	18183025
Epidermal growth factor receptor	Kd	=	0.38	nM	9.42	Binding constant for EGFR(E746-A750del) kinase domain	18183025
Epidermal growth factor receptor	Kd	=	0.41	nM	9.39	Binding constant for EGFR(L858R) kinase domain	18183025
Epidermal growth factor receptor	Kd	=	0.42	nM	9.38	Binding constant for EGFR(G719S) kinase domain	18183025
Epidermal growth factor receptor	Kd	=	0.44	nM	9.36	Binding constant for EGFR kinase domain	18183025
Epidermal growth factor receptor	Kd	=	0.44	nM	9.36	Binding constant for EGFR(L861Q) kinase domain	18183025
Epidermal growth factor receptor	IC50	=	0.6	nM	9.22	Inhibition of human EGFR in presence of 1 uM ATP	17416531
Epidermal growth factor receptor	Kd	=	1.0	nM	9.0	Average Binding Constant for EGFR; NA=Not Active at 10 uM	15711537
Cyclin-G-associated kinase	Kd	=	1.5	nM	8.82	Average Binding Constant for GAK; NA=Not Active at 10 uM	15711537
Mitogen-activated protein kinase kinase kinase kinase 5	Kd	=	3.7	nM	8.43	Average Binding Constant for MAP4K5; NA=Not Active at 10 uM	15711537
Cyclin-G-associated kinase	Kd	=	6.4	nM	8.19	Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia...	25822739
Cyclin-G-associated kinase	Kd	=	6.4	nM	8.19	Binding constant for GAK kinase domain	18183025
Epidermal growth factor receptor	IC50	=	8.02	nM	8.1	Inhibition of EGFR autophosphorylation in human A431 cells	20797871
Mitogen-activated protein kinase kinase kinase kinase 5	Kd	=	10.0	nM	8.0	Binding constant for MAP4K5 kinase domain	18183025
A-431	IC50	=	10.0	nM	8.0	Inhibition of human A431 cell proliferation	15715478

Literature References

PubMed	DOI	Target Context	# Activities
18183025	10.1038/nbt1358	Epidermal growth factor receptor	10
26254279	10.18632/oncotarget.4214	Receptor tyrosine-protein kinase erbB-2	9
26254279	10.18632/oncotarget.4214	Receptor tyrosine-protein kinase erbB-4	9
15711537	10.1038/nbt1068	Tyrosine-protein kinase ABL1	7
15715478	10.1021/jm040159c	Mus musculus	7
18183025	10.1038/nbt1358	Tyrosine-protein kinase ABL1	7
-	10.6019/CHEMBL4495565	SARS-CoV-2	6
18183025	10.1038/nbt1358	Receptor-type tyrosine-protein kinase FLT3	5
26254279	10.18632/oncotarget.4214	Unchecked	5
29191878	10.1126/science.aan4368	Unchecked	5
18183025	10.1038/nbt1358	Mast/stem cell growth factor receptor Kit	5
26254279	10.18632/oncotarget.4214	Epidermal growth factor receptor	4
17416531	10.1016/j.bmc.2007.03.055	Vascular endothelial growth factor receptor 2	4
36920850	10.1021/acs.jmedchem.3c00222	Unchecked	4
33479649	10.1039/D0MD00062K	Schistosoma mansoni	3
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	3
17416531	10.1016/j.bmc.2007.03.055	Epidermal growth factor receptor	3
18183025	10.1038/nbt1358	Ribosomal protein S6 kinase alpha-2	2
18183025	10.1038/nbt1358	Myosin light chain kinase, smooth muscle	2
18183025	10.1038/nbt1358	Proto-oncogene tyrosine-protein kinase receptor Ret	2

Data from ChEMBL 36 via Core Engine