Compound Detail

CHEMBL5887050

Enter ChEMBL ID:

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

Cc1cc(NC(=O)c2cn(C(C)(C)CF)c3ncnc(N)c23)n[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5887050
Phase	Preclinical
Structure Type	MOL
InChI Key	UFKINFUUYHPLQS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

331.4

MW (Da)

2.00

ALogP

HBA

HBD

114.5

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 9.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	9.7	9.7	0.2	4
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	8.0	8.0	10.0	1
Tyrosine-protein kinase Lck CHEMBL258	IC50	6.09	6.09	812.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	0.2	nM	9.7	Measurement of RET Inhibitory Activity: To measure the inhibitory activity, firs...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	0.2	nM	9.7	Inhibitory Activity Assay: To measure the inhibitory activity, first, the compou...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	0.2	nM	9.7	Inhibitory Activity Assay: To measure the inhibitory activity, first, the compou...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	0.2	nM	9.7	Measurement of RET Inhibitory Activity (In Vitro): Regarding the conditions for ...	-
Proto-oncogene tyrosine-protein kinase Src	IC50	=	10.0	nM	8.0	SRC Inhibitory Activity Measurement: Regarding the conditions for measurement of...	-
Tyrosine-protein kinase Lck	IC50	=	812.0	nM	6.09	LCK Inhibitory Activity Measurement: Regarding the conditions for measurement of...	-

Data from ChEMBL 36 via Core Engine