Compound Detail

CHEMBL301483

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CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL301483
Phase	Preclinical
Structure Type	MOL
InChI Key	GCTRVFZGBTUDPW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

504.5

MW (Da)

5.67

ALogP

HBA

HBD

95.1

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C24H31Cl2N7O
MW	504.47
Aromatic Rings	3
Heavy Atoms	34
NP-Likeness	-1.38

Activity Summary

IC50 15 meas. best 7.75

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	7.75	7.75	18.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	7.64	7.64	23.0	1
Fibroblast growth factor receptor CHEMBL2095217	IC50	7.48	7.48	33.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.31	7.31	49.0	1
Platelet-derived growth factor receptor (PDGFr) CHEMBL2111344	IC50	6.72	6.6467	190.0	3
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	6.68	6.68	210.0	1
NIH3T3 CHEMBL614822	IC50	6.0	6.0	1010.0	1
HT-29 CHEMBL384	IC50	5.93	5.93	1170.0	1
Epidermal growth factor receptor CHEMBL203	IC50	5.9	5.895	1260.0	2
SW-620 CHEMBL612262	IC50	5.56	5.56	2760.0	1
HCT-8 CHEMBL613510	IC50	5.4	5.4	4020.0	1
C6 CHEMBL614657	IC50	5.06	5.06	8800.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase Src	IC50	=	18.0	nM	7.75	Ability to prevent phosphorylation of avian c-Src TK	11384237
Proto-oncogene tyrosine-protein kinase Src	IC50	=	23.0	nM	7.64	Inhibition of C-src tyrosine kinase	9240345
Fibroblast growth factor receptor	IC50	=	33.0	nM	7.48	Inhibition of Fibroblast growth factor receptor (FGFr) tyrosine kinase	9240345
Fibroblast growth factor receptor 1	IC50	=	49.0	nM	7.31	Ability to prevent phosphorylation of human fibroblast growth factor receptor 1	11384237
Platelet-derived growth factor receptor (PDGFr)	IC50	=	190.0	nM	6.72	Inhibition of Platelet-derived growth factor receptor (PDGFr) tyrosine kinase in...	9240345
Platelet-derived growth factor receptor beta	IC50	=	210.0	nM	6.68	Ability to prevent phosphorylation of isolated mouse PDGF receptor beta	11384237
Platelet-derived growth factor receptor (PDGFr)	IC50	=	240.0	nM	6.62	Inhibition of PDGF receptor autophosphorylation in rat aortic vascular smooth mu...	11384237
Platelet-derived growth factor receptor (PDGFr)	IC50	=	250.0	nM	6.6	Inhibition of platelet derived growth factor (PDGF) stimulated PDGF-receptor aut...	9240345
NIH3T3	IC50	=	1010.0	nM	6.0	Inhibition of NIH3T3/PDGF Mouse transfected fibroblasts cell line	11384237
HT-29	IC50	=	1170.0	nM	5.93	Inhibition of human colon carcinoma HT-29 cell proliferation	11384237
Epidermal growth factor receptor	IC50	=	1260.0	nM	5.9	Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase	9240345
Epidermal growth factor receptor	IC50	=	1300.0	nM	5.89	Inhibition of epidermal growth factor receptor	11384237
SW-620	IC50	=	2760.0	nM	5.56	Inhibition of human colon carcinoma SW-620 cell proliferation	11384237
HCT-8	IC50	=	4020.0	nM	5.4	Inhibition of human colon carcinoma HCT-8 cell proliferation	11384237
C6	IC50	=	8800.0	nM	5.06	Inhibition of C-6 rat glioma cell proliferation	11384237

Literature References

PubMed	DOI	Target Context	# Activities
9240345	10.1021/jm970367n	Platelet-derived growth factor receptor (PDGFr)	2
11384237	10.1021/jm0004291	Unchecked	1
11384237	10.1021/jm0004291	NIH3T3	1
11384237	10.1021/jm0004291	C6	1
11384237	10.1021/jm0004291	HT-29	1
11384237	10.1021/jm0004291	SW-620	1
11384237	10.1021/jm0004291	HCT-8	1
11384237	10.1021/jm0004291	Platelet-derived growth factor receptor (PDGFr)	1
11384237	10.1021/jm0004291	Protein kinase C (PKC)	1
11384237	10.1021/jm0004291	Cyclin-dependent kinase 4	1
11384237	10.1021/jm0004291	Insulin receptor	1
11384237	10.1021/jm0004291	Epidermal growth factor receptor	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
9240345	10.1021/jm970367n	Fibroblast growth factor receptor	1

Data from ChEMBL 36 via Core Engine