Compound Detail

CHEMBL242740

TECTORIGENIN

Enter ChEMBL ID:

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

COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL242740
Name	TECTORIGENIN
Phase	Preclinical
Structure Type	MOL
InChI Key	OBBCRPUNCUPUOS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

300.3

MW (Da)

2.59

ALogP

HBA

HBD

100.1

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 5.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	5.48	5.48	3300.0	1
Hepatitis B virus CHEMBL613497	IC50	4.27	4.27	53900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	IC50	=	3300.0	nM	5.48	Inhibition of EGFR	16441060
Hepatitis B virus	IC50	=	53900.0	nM	4.27	Antiviral activity against Hepatitis B virus assessed as inhibition of HBsAg sec...	28494252

PubMed	DOI	Target Context	# Activities
19928832	10.1021/np900676y	T47D	4
19928832	10.1021/np900676y	MCF7	4
15787436	10.1021/np040175c	MCF7	2
15787436	10.1021/np040175c	T47D	2
39026645	10.1039/d4md00224e	No relevant target	2
3379415	10.1021/np50056a030	Xanthine dehydrogenase/oxidase	1
16441060	10.1021/np050229y	Epidermal growth factor receptor	1
20627560	10.1016/j.bmcl.2010.05.038	NON-PROTEIN TARGET	1
28494252	10.1016/j.ejmech.2017.04.048	Hepatitis B virus	1
39026645	10.1039/d4md00224e	Mushroom tyrosinase	1

Data from ChEMBL 36 via Core Engine