Compound Detail

CHEMBL1796181

Enter ChEMBL ID:

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

O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1796181
Phase	Preclinical
Structure Type	MOL
InChI Key	SORCKOZDYBIIFF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

375.3

MW (Da)

2.83

ALogP

HBA

HBD

91.1

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	5.89	5.89	1300.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	5.39	5.39	4100.0	1
Hepatocyte growth factor receptor CHEMBL3717	IC50	4.31	4.31	49000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase Src	IC50	=	1300.0	nM	5.89	Inhibition of SRC assessed as incorporation of p33 using [gammaP33]-ATP by micro...	21524503
Insulin-like growth factor 1 receptor	IC50	=	4100.0	nM	5.39	Inhibition of IGF-1R assessed as incorporation of p33 using [gammaP33]-ATP by mi...	21524503
Hepatocyte growth factor receptor	IC50	=	49000.0	nM	4.31	Inhibition of c-MET assessed as incorporation of p33 using [gammaP33]-ATP by mic...	21524503

PubMed	DOI	Target Context	# Activities
21524503	10.1016/j.ejmech.2011.03.065	Hepatocyte growth factor receptor	1
21524503	10.1016/j.ejmech.2011.03.065	Insulin-like growth factor 1 receptor	1
21524503	10.1016/j.ejmech.2011.03.065	Proto-oncogene tyrosine-protein kinase Src	1

Data from ChEMBL 36 via Core Engine