Compound Detail

CHEMBL57366

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CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL57366
Phase	Preclinical
Structure Type	MOL
InChI Key	RRWSNCZYJCOEFX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

405.3

MW (Da)

4.50

ALogP

HBA

HBD

105.8

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C18H18Cl2N6O
MW	405.29
Aromatic Rings	3
Heavy Atoms	27
NP-Likeness	-0.94

Activity Summary

IC50 27 meas. best 6.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	6.96	6.8875	110.0	4
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	6.89	6.89	130.0	1
Fibroblast growth factor receptor CHEMBL2095217	IC50	6.89	6.89	130.0	2
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	6.66	6.66	220.0	3
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	6.66	6.66	220.0	1
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	6.54	6.54	290.0	1
Epidermal growth factor receptor CHEMBL203	IC50	6.35	6.35	450.0	2
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	6.25	6.25	560.0	1
Platelet-derived growth factor receptor (PDGFr) CHEMBL2111344	IC50	6.2	6.08	630.0	2
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	5.96	5.94	1100.0	2
Unchecked CHEMBL612545	IC50	5.96	5.96	1100.0	1
Platelet-derived growth factor receptor CHEMBL2095189	IC50	5.9	5.9	1250.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.58	5.495	2620.0	2
A549 CHEMBL392	IC50	5.36	5.36	4340.0	1
Mitogen-activated protein kinase; ERK1/ERK2 CHEMBL1907606	IC50	5.15	5.15	7100.0	1
ADMET CHEMBL612558	IC50	4.55	4.55	28370.0	1
Protein kinase C (PKC) CHEMBL2093867	IC50	4.3	4.3	50000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 1	IC50	=	110.0	nM	6.96	Inhibition of FGFR1 (unknown origin) after 90 mins by TR-FRET assay	25736993
Fibroblast growth factor receptor	IC50	=	130.0	nM	6.89	Inhibition of Fibroblast growth factor receptor (FGFr) tyrosine kinase	9240345
Fibroblast growth factor receptor 1	IC50	=	130.0	nM	6.89	Inhibition of the phosphorylation of a random glutamate-tyrosine (4:1) copolymer...	11063616
Fibroblast growth factor receptor	IC50	=	130.0	nM	6.89	Inhibition of Fibroblast growth factor receptor	15780636
Fibroblast growth factor receptor 2	IC50	=	130.0	nM	6.89	Inhibition of FGFR2 (unknown origin) after 90 mins by TR-FRET assay	25736993
Fibroblast growth factor receptor 1	IC50	=	140.0	nM	6.85	Ability to prevent phosphorylation of human fibroblast growth factor receptor 1	11384237
Fibroblast growth factor receptor 1	IC50	=	140.0	nM	6.85	Inhibition of the fibroblast growth factor receptor (FGFR1)	-
Proto-oncogene tyrosine-protein kinase Src	IC50	=	220.0	nM	6.66	Inhibition of C-src tyrosine kinase	9240345
Proto-oncogene tyrosine-protein kinase Src	IC50	=	220.0	nM	6.66	Ability to prevent phosphorylation of avian c-Src TK	11384237
Proto-oncogene tyrosine-protein kinase Src	IC50	=	220.0	nM	6.66	Inhibition of the phosphorylation of a random glutamate-tyrosine (4:1) copolymer...	11063616
Proto-oncogene tyrosine-protein kinase Src	IC50	=	220.0	nM	6.66	Inhibitory activity against cytosolic c-Src	-
Fibroblast growth factor receptor 3	IC50	=	290.0	nM	6.54	Inhibition of FGFR3 (unknown origin) after 90 mins by TR-FRET assay	25736993
Epidermal growth factor receptor	IC50	=	450.0	nM	6.35	Inhibition of Epidermal growth factor receptor	-
Epidermal growth factor receptor	IC50	=	450.0	nM	6.35	Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase	9240345
Fibroblast growth factor receptor 4	IC50	=	560.0	nM	6.25	Inhibition of FGFR4 (unknown origin) after 90 mins by TR-FRET assay	25736993
Platelet-derived growth factor receptor (PDGFr)	IC50	=	630.0	nM	6.2	Inhibition of platelet derived growth factor (PDGF) stimulated PDGF-receptor aut...	9240345
Platelet-derived growth factor receptor (PDGFr)	IC50	=	1110.0	nM	5.96	Inhibition of Platelet-derived growth factor receptor (PDGFr) tyrosine kinase in...	9240345
Platelet-derived growth factor receptor beta	IC50	=	1100.0	nM	5.96	Inhibition of the phosphorylation of a random glutamate-tyrosine (4:1) copolymer...	11063616
Unchecked	IC50	=	1100.0	nM	5.96	Inhibition of Platelet-derived growth factor receptor	15780636
Platelet-derived growth factor receptor beta	IC50	=	1200.0	nM	5.92	Ability to prevent phosphorylation of isolated mouse PDGF receptor beta	11384237

Literature References

PubMed	DOI	Target Context	# Activities
25736993	10.1016/j.bmcl.2015.02.010	NON-PROTEIN TARGET	2
9240345	10.1021/jm970367n	Platelet-derived growth factor receptor (PDGFr)	2
11063616	10.1021/jm000161d	Proto-oncogene tyrosine-protein kinase Src	1
25736993	10.1016/j.bmcl.2015.02.010	ADMET	1
-	10.1016/S0960-894X(97)00445-9	Fibroblast growth factor receptor 1	1
-	10.1016/S0960-894X(97)00445-9	Platelet-derived growth factor receptor	1
-	10.1016/S0960-894X(97)00445-9	Protein kinase C (PKC)	1
-	10.1016/S0960-894X(97)00445-9	Insulin receptor	1
-	10.1016/S0960-894X(97)00445-9	Epidermal growth factor receptor	1
-	10.1016/S0960-894X(97)00445-9	Cyclin-dependent kinase 4	1
-	10.1016/S0960-894X(97)00445-9	Mitogen-activated protein kinase; ERK1/ERK2	1
-	10.1016/S0960-894X(97)00445-9	Proto-oncogene tyrosine-protein kinase Src	1
11063616	10.1021/jm000161d	Platelet-derived growth factor receptor beta	1
11063616	10.1021/jm000161d	Fibroblast growth factor receptor 1	1
11384237	10.1021/jm0004291	Proto-oncogene tyrosine-protein kinase Src	1
11384237	10.1021/jm0004291	Fibroblast growth factor receptor 1	1
11384237	10.1021/jm0004291	Platelet-derived growth factor receptor beta	1
9240345	10.1021/jm970367n	Insulin receptor	1
9240345	10.1021/jm970367n	Proto-oncogene tyrosine-protein kinase Src	1
9240345	10.1021/jm970367n	Epidermal growth factor receptor	1

Data from ChEMBL 36 via Core Engine