Compound Detail

CHEMBL49120

PD-0166285

Phase I

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Phase I

CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL49120
Name	PD-0166285
Phase	Phase I
Structure Type	MOL
InChI Key	IFPPYSWJNWHOLQ-UHFFFAOYSA-N

Known Names

PD-166285 PD166285 TCMDC-140940

Targets

112

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

512.4

MW (Da)

5.77

ALogP

HBA

HBD

72.3

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C26H27Cl2N5O2
MW	512.44
Aromatic Rings	4
Heavy Atoms	35
NP-Likeness	-1.24

Activity Summary

IC50 55 meas. best 8.96

Ki 54 meas. best 9.3

Kd 3 meas. best 8.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	9.3	9.3	0.5	1
Wee1-like protein kinase CHEMBL5491	Ki	9.3	9.3	0.5	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	9.2	9.2	0.6	1
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984	Ki	9.1	8.86	0.8	5
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	9.1	9.1	0.8	1
NIH3T3 CHEMBL614822	IC50	8.96	7.8067	1.1	3
Tyrosine-protein kinase Lck CHEMBL258	Ki	8.9	8.9	1.3	1
Activated CDC42 kinase 1 CHEMBL4599	Ki	8.9	8.9	1.3	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	8.8	8.8	1.6	1
Activin receptor type-1 CHEMBL5903	Ki	8.8	8.8	1.6	1
Platelet-derived growth factor receptor CHEMBL2096980	IC50	8.74	7.62	1.8	3
Platelet-derived growth factor receptor alpha CHEMBL2007	Ki	8.7	8.7	2.0	1
Mitogen-activated protein kinase 14 CHEMBL260	Ki	8.5	8.5	3.2	1
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Ki	8.4	8.4	4.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	8.3	8.3	5.0	1
Wee1-like protein kinase 2 CHEMBL5095	Kd	8.3	8.3	5.0	1
Platelet-derived growth factor receptor (PDGFr) CHEMBL2111344	IC50	8.3	8.2633	5.0	3
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	8.2	8.2	6.3	1
Unchecked CHEMBL612545	IC50	8.15	5.7667	7.0	3
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984	IC50	8.15	7.874	7.0	5
Myelin transcription factor 1 CHEMBL2331044	IC50	8.14	7.88	7.2	2
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	8.1	8.1	7.9	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	8.1	8.1	7.9	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	8.1	8.1	7.9	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3074	IC50	8.05	8.05	9.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	8.05	8.05	9.0	2
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	8.05	8.05	9.0	1
Tyrosine-protein kinase BTK CHEMBL5251	Ki	8.0	8.0	10.0	1
Wee1-like protein kinase CHEMBL5491	Kd	7.96	7.96	11.0	1
Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014	IC50	7.89	7.89	13.0	1
Activin receptor type-1 CHEMBL5903	IC50	7.68	7.68	21.0	1
Wee1-like protein kinase CHEMBL5491	IC50	7.62	7.29	24.0	4
Misshapen-like kinase 1 CHEMBL5518	Ki	7.5	7.5	31.6	1
Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266	IC50	7.43	7.43	37.0	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	7.4	7.4	39.8	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	7.4	7.4	39.8	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.37	7.37	43.0	2
Fibroblast growth factor receptor CHEMBL2111391	IC50	7.37	7.37	43.0	1
Fibroblast growth factor receptor CHEMBL2095217	IC50	7.36	5.865	44.0	2
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Ki	7.3	7.3	50.1	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	7.2	7.2	63.1	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	7.14	7.14	72.0	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	7.1	7.1	79.4	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	7.1	7.1	79.4	1
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	7.1	7.1	79.0	2
C6 CHEMBL614657	IC50	6.92	6.38	120.0	6
Hepatocyte growth factor receptor CHEMBL3717	Ki	6.8	6.8	158.5	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	6.8	6.8	158.5	1
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Ki	6.8	6.8	158.5	1
MDA-MB-231 CHEMBL400	IC50	6.8	6.8	160.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase ABL1	Ki	=	0.5012	nM	9.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Wee1-like protein kinase	Ki	=	0.5012	nM	9.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Macrophage colony-stimulating factor 1 receptor	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor beta	Ki	=	0.7943	nM	9.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Ki	=	0.8	nM	9.1	Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 ...	29941193
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Ki	=	0.8	nM	9.1	Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluo...	30388464
NIH3T3	IC50	=	1.1	nM	8.96	Growth of NIH3T3 cell colonies in soft agar with continuous treatment	9703473
Tyrosine-protein kinase Lck	Ki	=	1.259	nM	8.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Activated CDC42 kinase 1	Ki	=	1.259	nM	8.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Fyn	Ki	=	1.585	nM	8.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Activin receptor type-1	Ki	=	1.585	nM	8.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor	IC50	=	1.8	nM	8.74	Inhibition of PDGF-induced autophosphorylation of PDGF-R in NIH3T3 cells	9703473
Platelet-derived growth factor receptor alpha	Ki	=	1.995	nM	8.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Ki	=	2.0	nM	8.7	Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fl...	30388464
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Ki	=	1.995	nM	8.7	Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fl...	30388464
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Ki	=	2.0	nM	8.7	Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]...	29941193
Mitogen-activated protein kinase 14	Ki	=	3.162	nM	8.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase receptor TYRO3	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Wee1-like protein kinase 2	Kd	=	5.0	nM	8.3	Binding affinity to recombinant human N-terminal His6-tagged Wee2 kinase domain ...	28792760

Literature References

PubMed	DOI	Target Context	# Activities
9703473	10.1021/jm9802259	C6	10
9703473	10.1021/jm9802259	Mus musculus	7
30388464	10.1016/j.ejmech.2018.10.050	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	5
9703473	10.1021/jm9802259	A-431	5
9703473	10.1021/jm9802259	SK-OV-3	5
20485427	10.1038/nature09107	Plasmodium falciparum	4
29941193	10.1016/j.bmc.2018.06.027	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	4
9703473	10.1021/jm9802259	COLO 205	4
9703473	10.1021/jm9802259	HT-29	4
9703473	10.1021/jm9802259	MCF7	4
9784112	10.1021/jm980398y	C6	3
9703473	10.1021/jm9802259	NIH3T3	3
15780636	10.1016/j.bmcl.2005.01.079	Unchecked	3
22770610	10.1016/j.ejmech.2012.06.007	Myelin transcription factor 1	3
28792760	10.1021/acs.jmedchem.7b00996	Wee1-like protein kinase 2	2
-	10.6019/CHEMBL3433997	Glucose transporter	2
-	10.6019/CHEMBL3433997	Hexose transporter 1	2
28792760	10.1021/acs.jmedchem.7b00996	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	2
28792760	10.1021/acs.jmedchem.7b00996	Wee1-like protein kinase	2
17964795	10.1016/j.bmc.2007.10.024	Unchecked	2

Data from ChEMBL 36 via Core Engine