Compound Detail

CHEMBL4212531

PF-06273340

Phase I

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Phase I

CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4212531
Name	PF-06273340
Phase	Phase I
Structure Type	MOL
InChI Key	BPIWZDNVMQQBQX-UHFFFAOYSA-N

Known Names

Pf-06273340 PF06273340

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

479.9

MW (Da)

2.60

ALogP

HBA

HBD

148.9

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C23H22ClN7O3
MW	479.93
Aromatic Rings	4
Heavy Atoms	34
NP-Likeness	-1.38

Activity Summary

IC50 8 meas. best 8.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NT-3 growth factor receptor CHEMBL5608	IC50	8.52	8.52	3.0	1
BDNF/NT-3 growth factors receptor CHEMBL4898	IC50	8.4	8.4	4.0	1
High affinity nerve growth factor receptor CHEMBL2815	IC50	8.22	8.22	6.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.28	7.28	53.0	1
Muscle, skeletal receptor tyrosine-protein kinase CHEMBL5684	IC50	7.28	7.28	53.0	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	IC50	5.6	5.6	2500.0	1
Prostaglandin G/H synthase 1 CHEMBL221	IC50	5.57	5.57	2700.0	1
Sodium-dependent dopamine transporter CHEMBL238	IC50	5.28	5.28	5200.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	8.0	mL.min-1.g-1	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NT-3 growth factor receptor	IC50	=	3.0	nM	8.52	Inhibition of human TrkC expressed in human U2OS cells pre-incubated 30 mins bef...	27766865
BDNF/NT-3 growth factors receptor	IC50	=	4.0	nM	8.4	Inhibition of human TrkB expressed in human U2OS cells pre-incubated 30 mins bef...	27766865
High affinity nerve growth factor receptor	IC50	=	6.0	nM	8.22	Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins bef...	27766865
Muscle, skeletal receptor tyrosine-protein kinase	IC50	=	53.0	nM	7.28	Inhibition of MUSK (unknown origin)	27766865
Receptor-type tyrosine-protein kinase FLT3	IC50	=	53.0	nM	7.28	Inhibition of FLT3 (unknown origin)	27766865
Interleukin-1 receptor-associated kinase 1	IC50	=	2500.0	nM	5.6	Inhibition of IRAK1 (unknown origin)	27766865
Prostaglandin G/H synthase 1	IC50	=	2700.0	nM	5.57	Inhibition of COX1 (unknown origin)	27766865
Sodium-dependent dopamine transporter	IC50	=	5200.0	nM	5.28	Inhibition of dopamine transporter (unknown origin)	27766865

Literature References

PubMed	DOI	Target Context	# Activities
27766865	10.1021/acs.jmedchem.6b00850	ADMET	12
27766865	10.1021/acs.jmedchem.6b00850	Unchecked	5
27766865	10.1021/acs.jmedchem.6b00850	Voltage-gated inwardly rectifying potassium channel KCNH2	2
27766865	10.1021/acs.jmedchem.6b00850	No relevant target	2
27766865	10.1021/acs.jmedchem.6b00850	Aldehyde oxidase	2
27766865	10.1021/acs.jmedchem.6b00850	HepG2	1
27766865	10.1021/acs.jmedchem.6b00850	Epithelial discoidin domain-containing receptor 1	1
27766865	10.1021/acs.jmedchem.6b00850	Interleukin-1 receptor-associated kinase 1	1
27766865	10.1021/acs.jmedchem.6b00850	Receptor-type tyrosine-protein kinase FLT3	1
27766865	10.1021/acs.jmedchem.6b00850	Muscle, skeletal receptor tyrosine-protein kinase	1
27766865	10.1021/acs.jmedchem.6b00850	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B	1
27766865	10.1021/acs.jmedchem.6b00850	3',5'-cyclic-AMP phosphodiesterase 7B	1
27766865	10.1021/acs.jmedchem.6b00850	cGMP-specific 3',5'-cyclic phosphodiesterase	1
27766865	10.1021/acs.jmedchem.6b00850	3',5'-cyclic-AMP phosphodiesterase 4D	1
27766865	10.1021/acs.jmedchem.6b00850	Sodium-dependent dopamine transporter	1
27766865	10.1021/acs.jmedchem.6b00850	Prostaglandin G/H synthase 1	1
29944371	10.1021/acs.jmedchem.8b00633	No relevant target	1
27766865	10.1021/acs.jmedchem.6b00850	Rattus norvegicus	1
27766865	10.1021/acs.jmedchem.6b00850	NT-3 growth factor receptor	1
27766865	10.1021/acs.jmedchem.6b00850	BDNF/NT-3 growth factors receptor	1

Data from ChEMBL 36 via Core Engine