Compound Detail

CHEMBL3104852

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COC1OC(=O)c2c(O)c(O)c(O)c(C)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3104852
Phase	Preclinical
Structure Type	MOL
InChI Key	PZBSSTRXBNWBNX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

226.2

MW (Da)

0.93

ALogP

HBA

HBD

96.2

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 10 meas. best 5.69

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	5.69	5.69	2040.0	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	IC50	5.19	5.19	6390.0	1
Hepatocyte growth factor receptor CHEMBL3717	IC50	5.01	5.01	9650.0	1
ALK tyrosine kinase receptor CHEMBL4247	IC50	5.01	5.01	9760.0	1
Serine/threonine-protein kinase Nek2 CHEMBL3835	IC50	4.93	4.93	11800.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	4.9	4.9	12600.0	1
Focal adhesion kinase 1 CHEMBL2695	IC50	4.79	4.79	16300.0	1
Aurora kinase B CHEMBL2185	IC50	4.65	4.65	22600.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	4.58	4.58	26400.0	1
NUAK family SNF1-like kinase 1 CHEMBL5784	IC50	4.53	4.53	29800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Insulin-like growth factor 1 receptor	IC50	=	2040.0	nM	5.69	Inhibition of IGF1R (unknown origin)	24328302
Tyrosine-protein kinase receptor UFO	IC50	=	6390.0	nM	5.19	Inhibition of AXL (unknown origin)	24328302
Hepatocyte growth factor receptor	IC50	=	9650.0	nM	5.01	Inhibition of wild type MET (unknown origin)	24328302
ALK tyrosine kinase receptor	IC50	=	9760.0	nM	5.01	Inhibition of ALK (unknown origin)	24328302
Serine/threonine-protein kinase Nek2	IC50	=	11800.0	nM	4.93	Inhibition of NEK2 (unknown origin)	24328302
Proto-oncogene tyrosine-protein kinase Src	IC50	=	12600.0	nM	4.9	Inhibition of SRC (unknown origin)	24328302
Focal adhesion kinase 1	IC50	=	16300.0	nM	4.79	Inhibition of FAK (unknown origin)	24328302
Aurora kinase B	IC50	=	22600.0	nM	4.65	Inhibition of aurora-B (unknown origin)	24328302
Vascular endothelial growth factor receptor 2	IC50	=	26400.0	nM	4.58	Inhibition of VEGFR2 (unknown origin)	24328302
NUAK family SNF1-like kinase 1	IC50	=	29800.0	nM	4.53	Inhibition of ARK5 (unknown origin)	24328302

PubMed	DOI	Target Context	# Activities
24328302	10.1021/np4005745	Vascular endothelial growth factor receptor 2	1
24328302	10.1021/np4005745	Proto-oncogene tyrosine-protein kinase Src	1
24328302	10.1021/np4005745	Serine/threonine-protein kinase N1	1
24328302	10.1021/np4005745	Serine/threonine-protein kinase PLK1	1
24328302	10.1021/np4005745	Serine/threonine-protein kinase pim-1	1
24328302	10.1021/np4005745	Serine/threonine-protein kinase Nek6	1
24328302	10.1021/np4005745	Serine/threonine-protein kinase Nek2	1
24328302	10.1021/np4005745	Hepatocyte growth factor receptor	1
24328302	10.1021/np4005745	Dual specificity mitogen-activated protein kinase kinase 1	1
24328302	10.1021/np4005745	Insulin-like growth factor 1 receptor	1
24328302	10.1021/np4005745	Focal adhesion kinase 1	1
24328302	10.1021/np4005745	Tyrosine-protein kinase receptor UFO	1
24328302	10.1021/np4005745	Aurora kinase B	1
24328302	10.1021/np4005745	NUAK family SNF1-like kinase 1	1
24328302	10.1021/np4005745	ALK tyrosine kinase receptor	1
24328302	10.1021/np4005745	RAC-alpha serine/threonine-protein kinase	1

Data from ChEMBL 36 via Core Engine