Compound Detail

CHEMBL3357165

Enter ChEMBL ID:

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

O=C(CCc1ccc(O)c(O)c1)OCCc1ccc(O)c(O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3357165
Phase	Preclinical
Structure Type	MOL
InChI Key	GQGAKMDGSLWLHO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

318.3

MW (Da)

2.23

ALogP

HBA

HBD

107.2

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 5.21

EC50 1 meas. best 4.83

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
C6 CHEMBL614657	IC50	5.21	5.21	6160.0	1
Amyloid-beta precursor protein CHEMBL2487	EC50	4.83	4.83	14900.0	1
U-251 CHEMBL615022	IC50	4.62	4.62	24290.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
C6	IC50	=	6160.0	nM	5.21	Inhibition of cell proliferation of rat C6 cells assessed as cell viability afte...	25442304
Amyloid-beta precursor protein	EC50	=	14900.0	nM	4.83	Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation aft...	28759879
U-251	IC50	=	24290.0	nM	4.62	Inhibition of cell proliferation of human U251 cells assessed as cell viability ...	25442304

PubMed	DOI	Target Context	# Activities
25442304	10.1016/j.bmcl.2014.09.087	U-251	3
25442304	10.1016/j.bmcl.2014.09.087	C6	3
28759879	10.1016/j.ejmech.2017.07.026	Unchecked	2
28759879	10.1016/j.ejmech.2017.07.026	No relevant target	2
25442304	10.1016/j.bmcl.2014.09.087	NON-PROTEIN TARGET	1
28759879	10.1016/j.ejmech.2017.07.026	Amyloid-beta precursor protein	1
37216809	10.1016/j.ejmech.2023.115455	HepG2	1

Data from ChEMBL 36 via Core Engine