Compound Detail

CHEMBL3545137

PF-00477736

Phase I

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Phase I

Cn1cc(C2=Nc3cc(NC(=O)C(N)C4CCCCC4)cc4c3C2=CNNC4=O)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3545137
Name	PF-00477736
Phase	Phase I
Structure Type	MOL
InChI Key	YFNWWNRZJGMDBR-UHFFFAOYSA-N

Known Names

Pf 477736 Pf-00477736 PF-477736 PF477736

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

419.5

MW (Da)

1.99

ALogP

HBA

HBD

126.4

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

Extended Properties

Molecular Formula	C22H25N7O2
MW	419.49
Aromatic Rings	2
Heavy Atoms	31
NP-Likeness	-0.68

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Serine/threonine-protein kinase Chk1 inhibitor	INHIBITOR	Serine/threonine-protein kinase Chk1	✓	✓

Indications

Neoplasms

Activity Summary

Kd 68 meas. best 9.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase Chk1 CHEMBL4630	Kd	9.7	9.7	0.2	1
Uncharacterized protein FLJ45252 CHEMBL4105933	Kd	8.7	8.7	2.0	1
AP2-associated protein kinase 1 CHEMBL3830	Kd	8.7	8.7	2.0	1
BMP-2-inducible protein kinase CHEMBL4522	Kd	8.22	8.22	6.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	8.0	8.0	10.0	1
Tyrosine-protein kinase Mer CHEMBL5331	Kd	7.75	7.75	18.0	1
Serine/threonine-protein kinase PAK 6 CHEMBL4311	Kd	7.72	7.72	19.0	1
Misshapen-like kinase 1 CHEMBL5518	Kd	7.7	7.7	20.0	1
Cyclin-G-associated kinase CHEMBL4355	Kd	7.64	7.64	23.0	1
Myosin light chain kinase CHEMBL4627	Kd	7.51	7.51	31.0	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Kd	7.5	7.5	32.0	1
MAP/microtubule affinity-regulating kinase 4 CHEMBL5754	Kd	7.44	7.44	36.0	1
Serine/threonine-protein kinase SIK2 CHEMBL5699	Kd	7.33	7.33	47.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	7.3	7.3	50.0	1
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Kd	7.28	7.28	53.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	7.0	7.0	100.0	1
Aurora kinase B CHEMBL2185	Kd	6.92	6.92	120.0	1
Serine/threonine-protein kinase N1 CHEMBL3384	Kd	6.92	6.92	119.0	1
LIM domain kinase 1 CHEMBL3836	Kd	6.88	6.88	133.0	1
Aurora kinase A CHEMBL4722	Kd	6.85	6.85	141.0	1
TGF-beta receptor type-2 CHEMBL4267	Kd	6.84	6.84	146.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	Kd	6.72	6.72	192.0	1
LIM domain kinase 2 CHEMBL5932	Kd	6.69	6.69	205.0	1
TRAF2 and NCK-interacting protein kinase CHEMBL4527	Kd	6.6	6.6	251.0	1
Tyrosine-protein kinase Lyn CHEMBL3905	Kd	6.48	6.48	331.0	1
Serine/threonine-protein kinase LATS1 CHEMBL6167	Kd	6.44	6.44	363.0	1
Serine/threonine-protein kinase SIK3 CHEMBL6149	Kd	6.41	6.41	386.0	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Kd	6.41	6.41	387.0	1
Tyrosine-protein kinase HCK CHEMBL3234	Kd	6.36	6.36	436.0	1
Unchecked CHEMBL612545	Kd	6.34	5.7167	458.0	3
Serine/threonine-protein kinase MARK2 CHEMBL3831	Kd	6.31	6.31	491.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	6.23	6.23	584.0	1
Tyrosine-protein kinase Yes CHEMBL2073	Kd	6.21	6.21	623.0	1
Citron Rho-interacting kinase CHEMBL5579	Kd	6.14	6.14	725.0	1
5'-AMP-activated protein kinase subunit gamma-1 CHEMBL2393	Kd	6.11	6.11	784.0	1
Bone morphogenetic protein receptor type-1A CHEMBL5275	Kd	6.09	6.09	814.0	1
Ribosomal protein S6 kinase alpha-4 CHEMBL3125	Kd	5.98	5.98	1055.0	1
Breakpoint cluster region protein CHEMBL5146	Kd	5.96	5.96	1108.0	1
Serine/threonine-protein kinase ULK3 CHEMBL5047	Kd	5.93	5.93	1167.0	1
5'-AMP-activated protein kinase subunit gamma-2 CHEMBL2453	Kd	5.9	5.9	1266.0	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Kd	5.88	5.88	1324.0	1
Tyrosine-protein kinase Fyn CHEMBL1841	Kd	5.87	5.87	1337.0	1
Tyrosine-protein kinase ABL2 CHEMBL4014	Kd	5.86	5.86	1372.0	1
Tyrosine-protein kinase Lck CHEMBL258	Kd	5.86	5.86	1381.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Kd	5.85	5.85	1405.0	1
Ephrin type-B receptor 6 CHEMBL5836	Kd	5.82	5.82	1525.0	1
Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432	Kd	5.81	5.81	1543.0	1
Epidermal growth factor receptor CHEMBL203	Kd	5.76	5.76	1722.0	1
Tyrosine-protein kinase JAK1 CHEMBL2835	Kd	5.75	5.75	1779.0	1
Mitogen-activated protein kinase kinase kinase 1 CHEMBL3956	Kd	5.74	5.74	1806.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase Chk1	Kd	=	0.2	nM	9.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Uncharacterized protein FLJ45252	Kd	=	2.0	nM	8.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
AP2-associated protein kinase 1	Kd	=	2.0	nM	8.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
BMP-2-inducible protein kinase	Kd	=	6.0	nM	8.22	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Proto-oncogene tyrosine-protein kinase receptor Ret	Kd	=	10.0	nM	8.0	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase Mer	Kd	=	18.0	nM	7.75	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase PAK 6	Kd	=	19.0	nM	7.72	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Misshapen-like kinase 1	Kd	=	20.0	nM	7.7	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Cyclin-G-associated kinase	Kd	=	23.0	nM	7.64	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Myosin light chain kinase	Kd	=	31.0	nM	7.51	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase PLK4	Kd	=	32.0	nM	7.5	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
MAP/microtubule affinity-regulating kinase 4	Kd	=	36.0	nM	7.44	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase SIK2	Kd	=	47.0	nM	7.33	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Receptor-type tyrosine-protein kinase FLT3	Kd	=	50.0	nM	7.3	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase PAK 4	Kd	=	53.0	nM	7.28	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Platelet-derived growth factor receptor beta	Kd	=	100.0	nM	7.0	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Aurora kinase B	Kd	=	120.0	nM	6.92	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase N1	Kd	=	119.0	nM	6.92	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
LIM domain kinase 1	Kd	=	133.0	nM	6.88	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Aurora kinase A	Kd	=	141.0	nM	6.85	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

Literature References

PubMed	DOI	Target Context	# Activities
29191878	10.1126/science.aan4368	Unchecked	5
29191878	10.1126/science.aan4368	Actin-related protein 3	1
29191878	10.1126/science.aan4368	Mitogen-activated protein kinase kinase kinase 20	1
29191878	10.1126/science.aan4368	Beta-adrenergic receptor kinase 1	1
29191878	10.1126/science.aan4368	Adenosine kinase	1
29191878	10.1126/science.aan4368	Uncharacterized aarF domain-containing protein kinase 5	1
29191878	10.1126/science.aan4368	Atypical kinase COQ8A, mitochondrial	1
29191878	10.1126/science.aan4368	AarF domain-containing protein kinase 1	1
29191878	10.1126/science.aan4368	Activin receptor type-2B	1
29191878	10.1126/science.aan4368	Activin receptor type-1B	1
29191878	10.1126/science.aan4368	Activin receptor type-1	1
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1
29191878	10.1126/science.aan4368	Actin-related protein 2	1
29191878	10.1126/science.aan4368	Long-chain-fatty-acid--CoA ligase 5	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 3	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 1	1
29191878	10.1126/science.aan4368	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 11	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 10	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL2	1

Data from ChEMBL 36 via Core Engine