Compound Detail

CHEMBL481892

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C#CCOC(=O)/C=C/c1ccc(O)c(O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL481892
Phase	Preclinical
Structure Type	MOL
InChI Key	FTACWLZLWKJIFH-GQCTYLIASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

218.2

MW (Da)

1.29

ALogP

HBA

HBD

66.8

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
BeWo CHEMBL614525	IC50	5.05	5.05	8990.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.91	4.91	12340.0	1
HeLa CHEMBL399	IC50	4.72	4.72	19170.0	1
SiHa CHEMBL612542	IC50	4.41	4.41	39080.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
BeWo	IC50	=	8990.0	nM	5.05	Antitumor activity against human Bewo cells assessed as inhibition of cell growt...	25160837
NON-PROTEIN TARGET	IC50	=	12340.0	nM	4.91	Antitumor activity against human HL60 cells assessed as inhibition of cell growt...	25160837
HeLa	IC50	=	19170.0	nM	4.72	Antitumor activity against human HeLa cells assessed as inhibition of cell growt...	25160837
SiHa	IC50	=	39080.0	nM	4.41	Antitumor activity against human SiHa cells assessed as inhibition of cell growt...	25160837

PubMed	DOI	Target Context	# Activities
25160837	10.1016/j.bmcl.2014.08.024	NON-PROTEIN TARGET	2
18952420	10.1016/j.bmcl.2008.10.046	Human immunodeficiency virus type 1 integrase	1
25160837	10.1016/j.bmcl.2014.08.024	HeLa	1
25160837	10.1016/j.bmcl.2014.08.024	SiHa	1
25160837	10.1016/j.bmcl.2014.08.024	BeWo	1
25160837	10.1016/j.bmcl.2014.08.024	HepG2	1
30850166	10.1016/j.bmcl.2019.02.032	Unchecked	1

Data from ChEMBL 36 via Core Engine